diff --git a/CMakeLists.txt b/CMakeLists.txt new file mode 100644 index 0000000000000000000000000000000000000000..e139ce3ef6cf8e5b6f719203e169f740fd7a4129 --- /dev/null +++ b/CMakeLists.txt @@ -0,0 +1,87 @@ +# Project to test the scripts. +cmake_minimum_required(VERSION 2.8) +project(moose-examples LANGUAGES) + +# Pass PYTHON_EXECUTABLE from command line to use a different one. +find_package( PythonInterp REQUIRED ) +message( STATUS "Found ${PYTHON_EXECUTABLE}" ) + +# Now find all python files. +add_custom_target( lint ) +file( GLOB_RECURSE PY_SCRIPTS *.py ) +set( MATPLOTLIB_INITRC ${CMAKE_CURRENT_SOURCE_DIR}/_travis/matplotlibrc ) + +set( TEST_DATA_DIR "${CMAKE_CURRENT_BINARY_DIR}/_cmake_test_data" ) +file( MAKE_DIRECTORY ${TEST_DATA_DIR} ) + +# Function to check if given script is suitable for execution. +set( SCRIPTS_TO_EXECUTE "" ) +macro( suitable_for_execution script) + file(READ ${script} _text) + string( REGEX MATCH "input(\\s*)|raw_input(\\s*)" FORBIDDEN_TEXT ${_text} ) + string( REGEX MATCH "__main__" MUST_HAVE_TEXT ${_text} ) + if( FORBIDDEN_TEXT OR (NOT MUST_HAVE_TEXT) ) + message( STATUS "|| File is not suitable for running" ) + elseif( ${_script} MATCHES ".+traub_2005/.+" ) + message( STATUS "|| Script is blacklisted" ) + else() + list(APPEND SCRIPTS_TO_EXECUTE "${script}" ) + endif( ) +endmacro( ) + +foreach( _script ${PY_SCRIPTS} ) + get_filename_component( _script_filename ${_script} NAME ) + get_filename_component( _script_dirname ${_script} DIRECTORY ) + file(MD5 ${_script} _script_MD5_sum ) + message( STATUS "Added ${_script_filename} for checking" ) + + set(STATUS_FILE + "${TEST_DATA_DIR}/_status_${_script_filename}_${_script_MD5_sum}" + ) + + set(TARGET_NAME "check_${_script_filename}_${_script_MD5_sum}" ) + + add_custom_target( ${TARGET_NAME} DEPENDS ${STATUS_FILE}) + + add_custom_command( OUTPUT ${STATUS_FILE} + COMMAND timeout 30 ${PYTHON_EXECUTABLE} -m py_compile "${_script}" + MAIN_DEPENDENCY ${_script} + COMMENT "Compiling with ${PYTHON_EXECUTABLE}" + WORKING_DIRECTORY ${_script_dirname} + VERBATIM + ) + add_dependencies( lint ${TARGET_NAME} ) + + # Check if given script for suitable for running. + suitable_for_execution( ${_script} ) +endforeach( ) + +add_custom_target( execute ALL ) +message( STATUS "Following script will run" ) +foreach( _script ${SCRIPTS_TO_EXECUTE} ) + message( STATUS "++ Script ${_script} will execute" ) + get_filename_component( _script_filename ${_script} NAME ) + get_filename_component( _script_dirname ${_script} DIRECTORY ) + file(MD5 ${_script} _script_MD5_sum ) + + set(STATUS_FILE + "${TEST_DATA_DIR}/_run_${_script_filename}_${_script_MD5_sum}" + ) + + set(TARGET_NAME "run_${_script_filename}_${_script_MD5_sum}" ) + add_custom_target( ${TARGET_NAME} DEPENDS ${STATUS_FILE}) + + file(COPY ${MATPLOTLIB_INITRC} DESTINATION ${_script_dirname} ) + add_custom_command( + OUTPUT ${STATUS_FILE} + COMMAND ${PYTHON_EXECUTABLE} "${_script}" + MAIN_DEPENDENCY ${_script} + WORKING_DIRECTORY ${_script_dirname} + COMMENT "Running with ${PYTHON_EXECUTABLE}" + VERBATIM + ) + add_dependencies( execute ${TARGET_NAME} ) +endforeach( ) + + +add_dependencies( execute lint ) diff --git a/_travis/matplotlibrc b/_travis/matplotlibrc index 066b1bc8a27fdb4492dbd2bad3b47bf5eedf3f27..51779199a48853e48b1cedd5f4153c69f91ba25d 100644 --- a/_travis/matplotlibrc +++ b/_travis/matplotlibrc @@ -5,7 +5,7 @@ # This configuration file does the followings: # - plt.show() function become non-blocking. -backend : agg +backend : TkAgg # This makes all plots non-blocking. interactive : True diff --git a/_travis/run_scripts.sh b/_travis/run_scripts.sh index e1b59dd528b5dcf8517888ae5f05b9fe482bbb35..4d971503f29cc09798360443335ded89e3d79522 100755 --- a/_travis/run_scripts.sh +++ b/_travis/run_scripts.sh @@ -1,5 +1,13 @@ #!/usr/bin/env bash +trap ctrl_c INT + +function ctrl_c( ) +{ + echo "CTRL+C pressed. Quitting..." + exit; +} + PWD=$(cd "$(dirname "${BASH_SOURCE[0]}" )" && pwd) BLACKLISTED=$PWD/BLACKLISTED @@ -18,10 +26,13 @@ if [ ! -f $MATPLOTRC ]; then exit fi -TIMEOUT=5m +TIMEOUT=1m +NTHREADS=8 for f in `cat ./TORUN`; do d=`dirname $f` fn=`basename $f` + # Wait of NTHREADS to join + ((i=i%NTHREADS)); ((i++==0)) && wait ( cp $MATPLOTRC $d/ cd $d @@ -50,7 +61,7 @@ for f in `cat ./TORUN`; do cat $TEMP echo "|| Failed. Error written to $FAILED" fi - ) + ) & done echo "Following scripts were successful" diff --git a/cuda/check_error.py b/cuda/check_error.py new file mode 100644 index 0000000000000000000000000000000000000000..fc8950d4c8779ee4fe519ffe98635566fc14365a --- /dev/null +++ b/cuda/check_error.py @@ -0,0 +1,16 @@ +import numpy as np +import sys + +f1 = sys.argv[1] +f2 = sys.argv[2] + +val1 = np.loadtxt(f1) +val2 = np.loadtxt(f2) + +e = abs(val1-val2) +Totalerror = sum(e.flatten()) +avgError = Totalerror/len(val1) + +filename = f1.split('/')[-1] + +print(filename, Totalerror, avgError) diff --git a/cuda/check_script.sh b/cuda/check_script.sh new file mode 100644 index 0000000000000000000000000000000000000000..0cb796eec80226790ba4ae7be049bb05570909a3 --- /dev/null +++ b/cuda/check_script.sh @@ -0,0 +1,45 @@ +if [ $# != 2 ]; then + echo "Usage:" + echo "sh check_script.py <GPU_BUILD_DIR> <CPU_BUILD_DIR>" + exit +fi + +GPU_BUILD_DIR=$1 +CPU_BUILD_DIR=$2 +#GPU_BUILD_DIR="/home/teja/Work/ncbs/moose-core/build" +#CPU_BUILD_DIR="/home/teja/Work/ncbs/moose-core-static/build" + +SCRIPT_PATH="testScript.py" +CPU_DUMP="./cpu/" +GPU_DUMP="./gpu/" + +# Removing data of previous runs and making directory +if [ -d "$CPU_DUMP" ]; then + rm -rf "$CPU_DUMP" +fi +mkdir $CPU_DUMP + +if [ -d "$GPU_DUMP" ]; then + rm -rf "$GPU_DUMP" +fi +mkdir $GPU_DUMP + + +# Run the experiment with CPU build +export PYTHONPATH="$CPU_BUILD_DIR/python" +python $SCRIPT_PATH $CPU_DUMP + +# Run the experiment with GPU build +export PYTHONPATH="$GPU_BUILD_DIR/python" +python $SCRIPT_PATH $GPU_DUMP + + +# Check error between cpu and gpu +echo "################### COMPARISION BEGINS GPU/CPU ##############" +echo "Filename, TotalError, AvgError" +for filename in $(ls $CPU_DUMP); do + python check_error.py "$CPU_DUMP$filename" "$GPU_DUMP$filename" +done +echo "################### COMPARISION ENDS GPU/CPU ##############" + +echo "If you see very large non-zero values, then GPU is giving erronous results" diff --git a/snippets/testHsolve.py b/cuda/testScript.py similarity index 94% rename from snippets/testHsolve.py rename to cuda/testScript.py index 7dbe967bbe30bc81f4333ba2eb01196cae03b19d..c7285e77c1e1974a8c517f43e2b06deda9fd48ab 100644 --- a/snippets/testHsolve.py +++ b/cuda/testScript.py @@ -192,6 +192,14 @@ def dump_plots( fname ): pylab.show() #moose.utils.plotAscii(x.vector, file=fname) +import numpy as np +import sys +def dump_data(dump_dir, fname_suffix): + for x in moose.wildcardFind( '/graphs/##[ISA=Table]' ): + # Create file name + name = os.path.join(dump_dir, x.name+"_"+fname_suffix+".csv") + np.savetxt(name, x.vector) + def make_spiny_compt(): comptLength = 100e-6 comptDia = 4e-6 @@ -234,7 +242,7 @@ def create_pool( compt, name, concInit ): pool.concInit = concInit return pool -def test_elec_alone(): +def test_elec_alone(dump_dir): eeDt = 2e-6 hSolveDt = 2e-5 runTime = 0.02 @@ -252,7 +260,9 @@ def test_elec_alone(): moose.useClock( 8, '/graphs/elec/#', 'process' ) moose.reinit() moose.start( runTime ) - dump_plots( 'instab.plot' ) + #dump_plots( 'instab.plot' ) + dump_data(dump_dir, 'instab') + # make Hsolver and rerun hsolve = moose.HSolve( '/n/hsolve' ) moose.useClock( 1, '/n/hsolve', 'process' ) @@ -267,9 +277,10 @@ def test_elec_alone(): hsolve.dt = dt moose.reinit() moose.start( runTime ) - dump_plots( 'h_instab' + str( dt ) + '.plot' ) - -def main(): + #dump_plots( 'h_instab' + str( dt ) + '.plot' ) + dump_data(dump_dir, 'h_instab' + str( dt ) ) + +def main(dump_dir): """ A small compartmental model that demonstrates :: a) how to set up a multicompartmental model using SymCompartments @@ -277,10 +288,12 @@ A small compartmental model that demonstrates :: c) Solving this with the Hsolver. d) What happens at different timesteps. """ - test_elec_alone() + test_elec_alone(dump_dir) if __name__ == '__main__': - main() + if len(sys.argv) != 2: + exit() + main(sys.argv[1]) # # testHsolve.py ends here diff --git a/genesis/Kholodenko_tosbml.xml b/genesis/Kholodenko_tosbml.xml new file mode 100644 index 0000000000000000000000000000000000000000..156e579f9d2bde7f19a5560e374ff25164c68f36 --- /dev/null +++ b/genesis/Kholodenko_tosbml.xml @@ -0,0 +1,935 @@ +<?xml version="1.0" encoding="UTF-8"?> +<sbml xmlns="http://www.sbml.org/sbml/level3/version1/core" xmlns:xhtml="http://www.w3.org/1999/xhtml" xmlns:moose="http://www.moose.ncbs.res.in" xmlns:groups="http://www.sbml.org/sbml/level3/version1/groups/version1" level="3" version="1" groups:required="false"> + <model id="Kholodenko_tosbml" substanceUnits="substance" timeUnits="time" volumeUnits="volume" areaUnits="area" lengthUnits="length" extentUnits="substance"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + This is the oscillatory MAPK model from Kholodenko 2000 Eur J. Biochem 267:1583-1588 The original model is formulated in terms of idealized Michaelis-Menten enzymes and the enzyme-substrate complex concentrations are therefore assumed negligible. The current implementation of the model uses explicit enzyme reactions involving substrates and is therefore an approximation to the Kholodenko model. The approximation is greatly improved if the enzyme is flagged as Available which is an option in Kinetikit. This flag means that the enzyme protein concentration is not reduced even when it is involved in a complex. However, the substrate protein continues to participate in enzyme-substrate complexes and its concentration is therefore affected. Overall, this model works almost the same as the Kholodenko model but the peak MAPK-PP amplitudes are a little reduced and the period of oscillations is about 10% longer. If the enzymes are not flagged as Available then the oscillations commence only when the Km for enzyme 1 is set to 0.1 uM. + </body> + </notes> + <annotation> + <moose:ModelAnnotation> + <moose:runTime> 6000.0 </moose:runTime> + <moose:solver/> + <moose:simdt>0.005 </moose:simdt> + <moose:plotdt> 10.0 </moose:plotdt> + <moose:plots> /kinetics[0]/MAPK[0]/Ras_dash_MKKKK[0]; /kinetics[0]/MAPK[0]/MKKK_dash_P[0]; /kinetics[0]/MAPK[0]/MKK_dash_PP[0]; /kinetics[0]/MAPK[0]/MAPK_dash_PP[0]</moose:plots> + </moose:ModelAnnotation> + </annotation> + <listOfUnitDefinitions> + <unitDefinition id="volume"> + <listOfUnits> + <unit kind="litre" exponent="1" scale="0" multiplier="1"/> + </listOfUnits> + </unitDefinition> + <unitDefinition id="substance"> + <listOfUnits> + <unit kind="mole" exponent="1" scale="-3" multiplier="1"/> + </listOfUnits> + </unitDefinition> + <unitDefinition id="length"> + <listOfUnits> + <unit kind="metre" exponent="1" scale="0" multiplier="1"/> + </listOfUnits> + </unitDefinition> + <unitDefinition id="area"> + <listOfUnits> + <unit kind="metre" exponent="2" scale="0" multiplier="1"/> + </listOfUnits> + </unitDefinition> + <unitDefinition id="time"> + <listOfUnits> + <unit kind="second" exponent="1" scale="0" multiplier="1"/> + </listOfUnits> + </unitDefinition> + <unitDefinition id="litre_per_mmole_per_second"> + <listOfUnits> + <unit kind="litre" exponent="1" scale="0" multiplier="1"/> + <unit kind="mole" exponent="-1" scale="-3" multiplier="1"/> + <unit kind="second" exponent="-1" scale="0" multiplier="1"/> + </listOfUnits> + </unitDefinition> + <unitDefinition id="per_second"> + <listOfUnits> + <unit kind="second" exponent="-1" scale="0" multiplier="1"/> + </listOfUnits> + </unitDefinition> + <unitDefinition id="mmole_per_litre"> + <listOfUnits> + <unit kind="litre" exponent="-1" scale="0" multiplier="1"/> + <unit kind="mole" exponent="1" scale="-3" multiplier="1"/> + </listOfUnits> + </unitDefinition> + </listOfUnitDefinitions> + <listOfCompartments> + <compartment id="kinetics_479_0_" name="kinetics" spatialDimensions="3" size="1.66666666666667e-18" units="volume" constant="true"/> + </listOfCompartments> + <listOfSpecies> + <species id="MAPK_487_0_" name="MAPK" compartment="kinetics_479_0_" initialConcentration="0.0003" substanceUnits="substance" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + The total concn. of MAPK is 300nM from Kholodenko, 2000. + </body> + </notes> + <annotation> + <moose:ModelAnnotation> + <moose:xCord>-8.0</moose:xCord> + <moose:yCord>-7.0</moose:yCord> + <moose:bgColor>35</moose:bgColor> + <moose:textColor>yellow</moose:textColor> + </moose:ModelAnnotation> + </annotation> + </species> + <species id="MKKK_489_0_" name="MKKK" compartment="kinetics_479_0_" initialConcentration="0.0001" substanceUnits="substance" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + The total concn. of MKKK is 100nM from Kholodenko, 2000 + </body> + </notes> + <annotation> + <moose:ModelAnnotation> + <moose:xCord>-8.0</moose:xCord> + <moose:yCord>5.0</moose:yCord> + <moose:bgColor>16</moose:bgColor> + <moose:textColor>yellow</moose:textColor> + </moose:ModelAnnotation> + </annotation> + </species> + <species id="MKK_491_0_" name="MKK" compartment="kinetics_479_0_" initialConcentration="0.0003" substanceUnits="substance" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + The total concn. of MKK is 300nM from Kholodenko,2000 + </body> + </notes> + <annotation> + <moose:ModelAnnotation> + <moose:xCord>-8.0</moose:xCord> + <moose:yCord>-1.0</moose:yCord> + <moose:bgColor>60</moose:bgColor> + <moose:textColor>yellow</moose:textColor> + </moose:ModelAnnotation> + </annotation> + </species> + <species id="int1_493_0_" name="int1" compartment="kinetics_479_0_" initialConcentration="1e-06" substanceUnits="substance" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + This is the intermediate enzyme which catalyses the dephosphorylation of MKKK-P to MKKK. The concentration is set to 1 nM based on from Kholodenko, 2000 + </body> + </notes> + <annotation> + <moose:ModelAnnotation> + <moose:xCord>-4.0</moose:xCord> + <moose:yCord>4.0</moose:yCord> + <moose:bgColor>30</moose:bgColor> + <moose:textColor>yellow</moose:textColor> + </moose:ModelAnnotation> + </annotation> + </species> + <species id="MKKK_dash_P_497_0_" name="MKKK_dash_P" compartment="kinetics_479_0_" initialConcentration="0" substanceUnits="substance" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + This is the phosphorylated form of MKKK which converts MKK to MKK-P and then to MKK-PP from Kholodenko, 2000. + </body> + </notes> + <annotation> + <moose:ModelAnnotation> + <moose:xCord>0.0</moose:xCord> + <moose:yCord>5.0</moose:yCord> + <moose:bgColor>51</moose:bgColor> + <moose:textColor>yellow</moose:textColor> + </moose:ModelAnnotation> + </annotation> + </species> + <species id="int3_503_0_" name="int3" compartment="kinetics_479_0_" initialConcentration="1e-06" substanceUnits="substance" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + This intermediate enzyme catalyses the dephosphorylation of MKK-P to MKK. The concentration is 1nM from Kholodenko, 2000 + </body> + </notes> + <annotation> + <moose:ModelAnnotation> + <moose:xCord>-4.0</moose:xCord> + <moose:yCord>-2.0</moose:yCord> + <moose:bgColor>blue</moose:bgColor> + <moose:textColor>yellow</moose:textColor> + </moose:ModelAnnotation> + </annotation> + </species> + <species id="int5_507_0_" name="int5" compartment="kinetics_479_0_" initialConcentration="1e-06" substanceUnits="substance" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + This catalyses the conversion of MAPK-P to MAPK. The concenration is 1nM. from Kholodenko, 2000 + </body> + </notes> + <annotation> + <moose:ModelAnnotation> + <moose:xCord>-4.0</moose:xCord> + <moose:yCord>-8.0</moose:yCord> + <moose:bgColor>1</moose:bgColor> + <moose:textColor>yellow</moose:textColor> + </moose:ModelAnnotation> + </annotation> + </species> + <species id="MKK_dash_P_511_0_" name="MKK_dash_P" compartment="kinetics_479_0_" initialConcentration="0" substanceUnits="substance" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + This is the single phoshorylated form of MKK. from Kholodenko, 2000. + </body> + </notes> + <annotation> + <moose:ModelAnnotation> + <moose:xCord>0.0</moose:xCord> + <moose:yCord>-1.0</moose:yCord> + <moose:bgColor>5</moose:bgColor> + <moose:textColor>yellow</moose:textColor> + </moose:ModelAnnotation> + </annotation> + </species> + <species id="MAPK_dash_P_513_0_" name="MAPK_dash_P" compartment="kinetics_479_0_" initialConcentration="0" substanceUnits="substance" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + This is the single phopshorylated form of MAPK from Kholodenko, 2000. + </body> + </notes> + <annotation> + <moose:ModelAnnotation> + <moose:xCord>0.0</moose:xCord> + <moose:yCord>-7.0</moose:yCord> + <moose:bgColor>55</moose:bgColor> + <moose:textColor>yellow</moose:textColor> + </moose:ModelAnnotation> + </annotation> + </species> + <species id="int2_515_0_" name="int2" compartment="kinetics_479_0_" initialConcentration="1e-06" substanceUnits="substance" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + This intermediate enzyme which catalyses the dephosphorylation of MKK-PP to MKK-P. The concentration is 1nM. from Kholodenko, 2000 + </body> + </notes> + <annotation> + <moose:ModelAnnotation> + <moose:xCord>4.0</moose:xCord> + <moose:yCord>-2.0</moose:yCord> + <moose:bgColor>2</moose:bgColor> + <moose:textColor>yellow</moose:textColor> + </moose:ModelAnnotation> + </annotation> + </species> + <species id="int4_519_0_" name="int4" compartment="kinetics_479_0_" initialConcentration="1e-06" substanceUnits="substance" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + This intermediate enzyme catalyses the dephosphorylation of MAPK-PP to MAPK-P. The concentration is 1nM. from Kholodenko, 2000 + </body> + </notes> + <annotation> + <moose:ModelAnnotation> + <moose:xCord>4.0</moose:xCord> + <moose:yCord>-8.0</moose:yCord> + <moose:bgColor>17</moose:bgColor> + <moose:textColor>yellow</moose:textColor> + </moose:ModelAnnotation> + </annotation> + </species> + <species id="Ras_dash_MKKKK_523_0_" name="Ras_dash_MKKKK" compartment="kinetics_479_0_" initialConcentration="1e-06" substanceUnits="substance" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + The concn. of Ras-MKKKK* is set to 1 nM implicitly from Kholodenko, 2000 + </body> + </notes> + <annotation> + <moose:ModelAnnotation> + <moose:xCord>6.0</moose:xCord> + <moose:yCord>8.0</moose:yCord> + <moose:bgColor>11</moose:bgColor> + <moose:textColor>yellow</moose:textColor> + </moose:ModelAnnotation> + </annotation> + </species> + <species id="inactiveRas_dash_MKKK_527_0_" name="inactiveRas_dash_MKKK" compartment="kinetics_479_0_" initialConcentration="0" substanceUnits="substance" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + This is the inactive form of Ras-MKKK. Based on the reaction scheme from Kholodenko 2000, this is equivalent to a binding of the MAPK-PP to the Ras. The amount of Ras in the model is small enough that negligible amounts of MAPK are involved in this reaction. So it is a fair approximation to the negative feedback mechanism from Kholodenko, 2000. + </body> + </notes> + <annotation> + <moose:ModelAnnotation> + <moose:xCord>11.0</moose:xCord> + <moose:yCord>8.0</moose:yCord> + <moose:bgColor>30</moose:bgColor> + <moose:textColor>yellow</moose:textColor> + </moose:ModelAnnotation> + </annotation> + </species> + <species id="MKK_dash_PP_531_0_" name="MKK_dash_PP" compartment="kinetics_479_0_" initialConcentration="0" substanceUnits="substance" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + This is the double phosphorylated and active form of MKK from Kholodenko, 2000 + </body> + </notes> + <annotation> + <moose:ModelAnnotation> + <moose:xCord>8.0</moose:xCord> + <moose:yCord>-1.0</moose:yCord> + <moose:bgColor>0</moose:bgColor> + <moose:textColor>yellow</moose:textColor> + </moose:ModelAnnotation> + </annotation> + </species> + <species id="MAPK_dash_PP_537_0_" name="MAPK_dash_PP" compartment="kinetics_479_0_" initialConcentration="0" substanceUnits="substance" hasOnlySubstanceUnits="false" boundaryCondition="false" constant="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + This is the double phosphorylated and active form of MAPK. from Kholodenko, 2000. + </body> + </notes> + <annotation> + <moose:ModelAnnotation> + <moose:xCord>8.0</moose:xCord> + <moose:yCord>-7.0</moose:yCord> + <moose:bgColor>58</moose:bgColor> + <moose:textColor>yellow</moose:textColor> + </moose:ModelAnnotation> + </annotation> + </species> + </listOfSpecies> + <listOfReactions> + <reaction id="Neg_feedback_529_0_" name="Neg_feedback" reversible="true" fast="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + From Kholodenko, 2000 Eur J Biochem 267 the Kd is 9 nM. We use a rather fast Kf of 1/sec/uM so that equilibrium is maintained. + </body> + </notes> + <annotation> + <moose:ModelAnnotation> + <moose:xCord>11.0</moose:xCord> + <moose:yCord>2.0</moose:yCord> + <moose:bgColor>white</moose:bgColor> + <moose:textColor>yellow</moose:textColor> + </moose:ModelAnnotation> + </annotation> + <listOfReactants> + <speciesReference species="MAPK_dash_PP_537_0_" stoichiometry="1" constant="false"/> + <speciesReference species="Ras_dash_MKKKK_523_0_" stoichiometry="1" constant="false"/> + </listOfReactants> + <listOfProducts> + <speciesReference species="inactiveRas_dash_MKKK_527_0_" stoichiometry="1" constant="false"/> + </listOfProducts> + <kineticLaw> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + kinetics_479_0_ * Neg_feedback_529_0__Kf * MAPK_dash_PP_537_0_*Ras_dash_MKKKK_523_0_-kinetics_479_0_ * Neg_feedback_529_0__Kb * inactiveRas_dash_MKKK_527_0_ + </body> + </notes> + <math xmlns="http://www.w3.org/1998/Math/MathML"> + <apply> + <minus/> + <apply> + <times/> + <ci> kinetics_479_0_ </ci> + <ci> Neg_feedback_529_0__Kf </ci> + <ci> MAPK_dash_PP_537_0_ </ci> + <ci> Ras_dash_MKKKK_523_0_ </ci> + </apply> + <apply> + <times/> + <ci> kinetics_479_0_ </ci> + <ci> Neg_feedback_529_0__Kb </ci> + <ci> inactiveRas_dash_MKKK_527_0_ </ci> + </apply> + </apply> + </math> + <listOfLocalParameters> + <localParameter id="Neg_feedback_529_0__Kf" value="1000" units="litre_per_mmole_per_second"/> + <localParameter id="Neg_feedback_529_0__Kb" value="0.009" units="per_second"/> + </listOfLocalParameters> + </kineticLaw> + </reaction> + <reaction id="_2_495_0_" name="2" reversible="true" fast="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + Km is 8nM and Vmax is 0.25nM.s-1 from Kholodenko, 2000. + </body> + </notes> + <annotation> + <moose:EnzymaticReaction> + <moose:xCord>-4.0</moose:xCord> + <moose:yCord>5.0</moose:yCord> + <moose:bgColor>red</moose:bgColor> + <moose:textColor>30</moose:textColor> + </moose:EnzymaticReaction> + </annotation> + <listOfReactants> + <speciesReference species="MKKK_dash_P_497_0_" stoichiometry="1" constant="false"/> + </listOfReactants> + <listOfProducts> + <speciesReference species="MKKK_489_0_" stoichiometry="1" constant="false"/> + </listOfProducts> + <listOfModifiers> + <modifierSpeciesReference species="int1_493_0_"/> + </listOfModifiers> + <kineticLaw> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + kinetics_479_0_ * ( kcat * MKKK_dash_P_497_0_ * int1_493_0_ / ( Km + MKKK_dash_P_497_0_)) + </body> + </notes> + <math xmlns="http://www.w3.org/1998/Math/MathML"> + <apply> + <times/> + <ci> kinetics_479_0_ </ci> + <apply> + <divide/> + <apply> + <times/> + <ci> kcat </ci> + <ci> MKKK_dash_P_497_0_ </ci> + <ci> int1_493_0_ </ci> + </apply> + <apply> + <plus/> + <ci> Km </ci> + <ci> MKKK_dash_P_497_0_ </ci> + </apply> + </apply> + </apply> + </math> + <listOfLocalParameters> + <localParameter id="Km" value="8e-06" units="mmole_per_litre"/> + <localParameter id="kcat" value="0.25" units="per_second"/> + </listOfLocalParameters> + </kineticLaw> + </reaction> + <reaction id="_3_499_0_" name="3" reversible="true" fast="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + Km is 15 nM and Vmax is 0.025s-1 from Kholodenko, 2000 + </body> + </notes> + <annotation> + <moose:EnzymaticReaction> + <moose:xCord>-4.0</moose:xCord> + <moose:yCord>2.0</moose:yCord> + <moose:bgColor>red</moose:bgColor> + <moose:textColor>51</moose:textColor> + </moose:EnzymaticReaction> + </annotation> + <listOfReactants> + <speciesReference species="MKK_491_0_" stoichiometry="1" constant="false"/> + </listOfReactants> + <listOfProducts> + <speciesReference species="MKK_dash_P_511_0_" stoichiometry="1" constant="false"/> + </listOfProducts> + <listOfModifiers> + <modifierSpeciesReference species="MKKK_dash_P_497_0_"/> + </listOfModifiers> + <kineticLaw> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + kinetics_479_0_ * ( kcat * MKK_491_0_ * MKKK_dash_P_497_0_ / ( Km + MKK_491_0_)) + </body> + </notes> + <math xmlns="http://www.w3.org/1998/Math/MathML"> + <apply> + <times/> + <ci> kinetics_479_0_ </ci> + <apply> + <divide/> + <apply> + <times/> + <ci> kcat </ci> + <ci> MKK_491_0_ </ci> + <ci> MKKK_dash_P_497_0_ </ci> + </apply> + <apply> + <plus/> + <ci> Km </ci> + <ci> MKK_491_0_ </ci> + </apply> + </apply> + </apply> + </math> + <listOfLocalParameters> + <localParameter id="Km" value="1.500006000024e-05" units="mmole_per_litre"/> + <localParameter id="kcat" value="0.025" units="per_second"/> + </listOfLocalParameters> + </kineticLaw> + </reaction> + <reaction id="_4_501_0_" name="4" reversible="true" fast="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + Km is 15nM and Vmax is 0.025s-1 from Kholodenko, 2000. + </body> + </notes> + <annotation> + <moose:EnzymaticReaction> + <moose:xCord>4.0</moose:xCord> + <moose:yCord>2.0</moose:yCord> + <moose:bgColor>red</moose:bgColor> + <moose:textColor>51</moose:textColor> + </moose:EnzymaticReaction> + </annotation> + <listOfReactants> + <speciesReference species="MKK_dash_P_511_0_" stoichiometry="1" constant="false"/> + </listOfReactants> + <listOfProducts> + <speciesReference species="MKK_dash_PP_531_0_" stoichiometry="1" constant="false"/> + </listOfProducts> + <listOfModifiers> + <modifierSpeciesReference species="MKKK_dash_P_497_0_"/> + </listOfModifiers> + <kineticLaw> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + kinetics_479_0_ * ( kcat * MKK_dash_P_511_0_ * MKKK_dash_P_497_0_ / ( Km + MKK_dash_P_511_0_)) + </body> + </notes> + <math xmlns="http://www.w3.org/1998/Math/MathML"> + <apply> + <times/> + <ci> kinetics_479_0_ </ci> + <apply> + <divide/> + <apply> + <times/> + <ci> kcat </ci> + <ci> MKK_dash_P_511_0_ </ci> + <ci> MKKK_dash_P_497_0_ </ci> + </apply> + <apply> + <plus/> + <ci> Km </ci> + <ci> MKK_dash_P_511_0_ </ci> + </apply> + </apply> + </apply> + </math> + <listOfLocalParameters> + <localParameter id="Km" value="1.500006000024e-05" units="mmole_per_litre"/> + <localParameter id="kcat" value="0.025" units="per_second"/> + </listOfLocalParameters> + </kineticLaw> + </reaction> + <reaction id="_6_505_0_" name="6" reversible="true" fast="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + The Km is 15nM and the Vmax is 0.75nM.s-1 from Kholodenko 2000. + </body> + </notes> + <annotation> + <moose:EnzymaticReaction> + <moose:xCord>-4.0</moose:xCord> + <moose:yCord>-1.0</moose:yCord> + <moose:bgColor>red</moose:bgColor> + <moose:textColor>blue</moose:textColor> + </moose:EnzymaticReaction> + </annotation> + <listOfReactants> + <speciesReference species="MKK_dash_P_511_0_" stoichiometry="1" constant="false"/> + </listOfReactants> + <listOfProducts> + <speciesReference species="MKK_491_0_" stoichiometry="1" constant="false"/> + </listOfProducts> + <listOfModifiers> + <modifierSpeciesReference species="int3_503_0_"/> + </listOfModifiers> + <kineticLaw> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + kinetics_479_0_ * ( kcat * MKK_dash_P_511_0_ * int3_503_0_ / ( Km + MKK_dash_P_511_0_)) + </body> + </notes> + <math xmlns="http://www.w3.org/1998/Math/MathML"> + <apply> + <times/> + <ci> kinetics_479_0_ </ci> + <apply> + <divide/> + <apply> + <times/> + <ci> kcat </ci> + <ci> MKK_dash_P_511_0_ </ci> + <ci> int3_503_0_ </ci> + </apply> + <apply> + <plus/> + <ci> Km </ci> + <ci> MKK_dash_P_511_0_ </ci> + </apply> + </apply> + </apply> + </math> + <listOfLocalParameters> + <localParameter id="Km" value="1.5e-05" units="mmole_per_litre"/> + <localParameter id="kcat" value="0.75" units="per_second"/> + </listOfLocalParameters> + </kineticLaw> + </reaction> + <reaction id="_10_509_0_" name="10" reversible="true" fast="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + The Km is 15nM and Vmax is 0.5nM.s-1 from Kholodenko, 2000 + </body> + </notes> + <annotation> + <moose:EnzymaticReaction> + <moose:xCord>-4.0</moose:xCord> + <moose:yCord>-7.0</moose:yCord> + <moose:bgColor>red</moose:bgColor> + <moose:textColor>1</moose:textColor> + </moose:EnzymaticReaction> + </annotation> + <listOfReactants> + <speciesReference species="MAPK_dash_P_513_0_" stoichiometry="1" constant="false"/> + </listOfReactants> + <listOfProducts> + <speciesReference species="MAPK_487_0_" stoichiometry="1" constant="false"/> + </listOfProducts> + <listOfModifiers> + <modifierSpeciesReference species="int5_507_0_"/> + </listOfModifiers> + <kineticLaw> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + kinetics_479_0_ * ( kcat * MAPK_dash_P_513_0_ * int5_507_0_ / ( Km + MAPK_dash_P_513_0_)) + </body> + </notes> + <math xmlns="http://www.w3.org/1998/Math/MathML"> + <apply> + <times/> + <ci> kinetics_479_0_ </ci> + <apply> + <divide/> + <apply> + <times/> + <ci> kcat </ci> + <ci> MAPK_dash_P_513_0_ </ci> + <ci> int5_507_0_ </ci> + </apply> + <apply> + <plus/> + <ci> Km </ci> + <ci> MAPK_dash_P_513_0_ </ci> + </apply> + </apply> + </apply> + </math> + <listOfLocalParameters> + <localParameter id="Km" value="1.49997000059999e-05" units="mmole_per_litre"/> + <localParameter id="kcat" value="0.5" units="per_second"/> + </listOfLocalParameters> + </kineticLaw> + </reaction> + <reaction id="_5_517_0_" name="5" reversible="true" fast="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + The Km is 15nM and Vmax is 0.75nM.s-1 from Kholodenko, 2000 + </body> + </notes> + <annotation> + <moose:EnzymaticReaction> + <moose:xCord>4.0</moose:xCord> + <moose:yCord>-1.0</moose:yCord> + <moose:bgColor>red</moose:bgColor> + <moose:textColor>2</moose:textColor> + </moose:EnzymaticReaction> + </annotation> + <listOfReactants> + <speciesReference species="MKK_dash_PP_531_0_" stoichiometry="1" constant="false"/> + </listOfReactants> + <listOfProducts> + <speciesReference species="MKK_dash_P_511_0_" stoichiometry="1" constant="false"/> + </listOfProducts> + <listOfModifiers> + <modifierSpeciesReference species="int2_515_0_"/> + </listOfModifiers> + <kineticLaw> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + kinetics_479_0_ * ( kcat * MKK_dash_PP_531_0_ * int2_515_0_ / ( Km + MKK_dash_PP_531_0_)) + </body> + </notes> + <math xmlns="http://www.w3.org/1998/Math/MathML"> + <apply> + <times/> + <ci> kinetics_479_0_ </ci> + <apply> + <divide/> + <apply> + <times/> + <ci> kcat </ci> + <ci> MKK_dash_PP_531_0_ </ci> + <ci> int2_515_0_ </ci> + </apply> + <apply> + <plus/> + <ci> Km </ci> + <ci> MKK_dash_PP_531_0_ </ci> + </apply> + </apply> + </apply> + </math> + <listOfLocalParameters> + <localParameter id="Km" value="1.5e-05" units="mmole_per_litre"/> + <localParameter id="kcat" value="0.75" units="per_second"/> + </listOfLocalParameters> + </kineticLaw> + </reaction> + <reaction id="_9_521_0_" name="9" reversible="true" fast="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + The Km is 15nM and Vmax is 0.5nM.s-1 from Kholodenko, 2000 + </body> + </notes> + <annotation> + <moose:EnzymaticReaction> + <moose:xCord>4.0</moose:xCord> + <moose:yCord>-7.0</moose:yCord> + <moose:bgColor>red</moose:bgColor> + <moose:textColor>17</moose:textColor> + </moose:EnzymaticReaction> + </annotation> + <listOfReactants> + <speciesReference species="MAPK_dash_PP_537_0_" stoichiometry="1" constant="false"/> + </listOfReactants> + <listOfProducts> + <speciesReference species="MAPK_dash_P_513_0_" stoichiometry="1" constant="false"/> + </listOfProducts> + <listOfModifiers> + <modifierSpeciesReference species="int4_519_0_"/> + </listOfModifiers> + <kineticLaw> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + kinetics_479_0_ * ( kcat * MAPK_dash_PP_537_0_ * int4_519_0_ / ( Km + MAPK_dash_PP_537_0_)) + </body> + </notes> + <math xmlns="http://www.w3.org/1998/Math/MathML"> + <apply> + <times/> + <ci> kinetics_479_0_ </ci> + <apply> + <divide/> + <apply> + <times/> + <ci> kcat </ci> + <ci> MAPK_dash_PP_537_0_ </ci> + <ci> int4_519_0_ </ci> + </apply> + <apply> + <plus/> + <ci> Km </ci> + <ci> MAPK_dash_PP_537_0_ </ci> + </apply> + </apply> + </apply> + </math> + <listOfLocalParameters> + <localParameter id="Km" value="1.49997000059999e-05" units="mmole_per_litre"/> + <localParameter id="kcat" value="0.5" units="per_second"/> + </listOfLocalParameters> + </kineticLaw> + </reaction> + <reaction id="_1_525_0_" name="1" reversible="true" fast="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + The Km is 10nM and Vmax is 2.5nM sec^-1. We assume that there is 1 nM of the Ras-MKKKK. From Kholodenko, 2000. If the enzymes are not flagged as Available, then this Km should be set to 0.1 to obtain oscillations. + </body> + </notes> + <annotation> + <moose:EnzymaticReaction> + <moose:xCord>-4.0</moose:xCord> + <moose:yCord>8.0</moose:yCord> + <moose:bgColor>red</moose:bgColor> + <moose:textColor>11</moose:textColor> + </moose:EnzymaticReaction> + </annotation> + <listOfReactants> + <speciesReference species="MKKK_489_0_" stoichiometry="1" constant="false"/> + </listOfReactants> + <listOfProducts> + <speciesReference species="MKKK_dash_P_497_0_" stoichiometry="1" constant="false"/> + </listOfProducts> + <listOfModifiers> + <modifierSpeciesReference species="Ras_dash_MKKKK_523_0_"/> + </listOfModifiers> + <kineticLaw> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + kinetics_479_0_ * ( kcat * MKKK_489_0_ * Ras_dash_MKKKK_523_0_ / ( Km + MKKK_489_0_)) + </body> + </notes> + <math xmlns="http://www.w3.org/1998/Math/MathML"> + <apply> + <times/> + <ci> kinetics_479_0_ </ci> + <apply> + <divide/> + <apply> + <times/> + <ci> kcat </ci> + <ci> MKKK_489_0_ </ci> + <ci> Ras_dash_MKKKK_523_0_ </ci> + </apply> + <apply> + <plus/> + <ci> Km </ci> + <ci> MKKK_489_0_ </ci> + </apply> + </apply> + </apply> + </math> + <listOfLocalParameters> + <localParameter id="Km" value="1e-05" units="mmole_per_litre"/> + <localParameter id="kcat" value="2.5" units="per_second"/> + </listOfLocalParameters> + </kineticLaw> + </reaction> + <reaction id="_7_533_0_" name="7" reversible="true" fast="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + The Km is 15nM which is 0.015uM Vmax is 0.025s-1 from Kholodenko, 2000. + </body> + </notes> + <annotation> + <moose:EnzymaticReaction> + <moose:xCord>-4.0</moose:xCord> + <moose:yCord>-4.0</moose:yCord> + <moose:bgColor>red</moose:bgColor> + <moose:textColor>0</moose:textColor> + </moose:EnzymaticReaction> + </annotation> + <listOfReactants> + <speciesReference species="MAPK_487_0_" stoichiometry="1" constant="false"/> + </listOfReactants> + <listOfProducts> + <speciesReference species="MAPK_dash_P_513_0_" stoichiometry="1" constant="false"/> + </listOfProducts> + <listOfModifiers> + <modifierSpeciesReference species="MKK_dash_PP_531_0_"/> + </listOfModifiers> + <kineticLaw> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + kinetics_479_0_ * ( kcat * MAPK_487_0_ * MKK_dash_PP_531_0_ / ( Km + MAPK_487_0_)) + </body> + </notes> + <math xmlns="http://www.w3.org/1998/Math/MathML"> + <apply> + <times/> + <ci> kinetics_479_0_ </ci> + <apply> + <divide/> + <apply> + <times/> + <ci> kcat </ci> + <ci> MAPK_487_0_ </ci> + <ci> MKK_dash_PP_531_0_ </ci> + </apply> + <apply> + <plus/> + <ci> Km </ci> + <ci> MAPK_487_0_ </ci> + </apply> + </apply> + </apply> + </math> + <listOfLocalParameters> + <localParameter id="Km" value="1.500006000024e-05" units="mmole_per_litre"/> + <localParameter id="kcat" value="0.025" units="per_second"/> + </listOfLocalParameters> + </kineticLaw> + </reaction> + <reaction id="_8_535_0_" name="8" reversible="true" fast="false"> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + The Km is 15nM which is 0.015uM and Vmax is 0.025s-1 from Kholodenko, 2000 + </body> + </notes> + <annotation> + <moose:EnzymaticReaction> + <moose:xCord>4.0</moose:xCord> + <moose:yCord>-4.0</moose:yCord> + <moose:bgColor>red</moose:bgColor> + <moose:textColor>0</moose:textColor> + </moose:EnzymaticReaction> + </annotation> + <listOfReactants> + <speciesReference species="MAPK_dash_P_513_0_" stoichiometry="1" constant="false"/> + </listOfReactants> + <listOfProducts> + <speciesReference species="MAPK_dash_PP_537_0_" stoichiometry="1" constant="false"/> + </listOfProducts> + <listOfModifiers> + <modifierSpeciesReference species="MKK_dash_PP_531_0_"/> + </listOfModifiers> + <kineticLaw> + <notes> + <body xmlns="http://www.w3.org/1999/xhtml"> + kinetics_479_0_ * ( kcat * MAPK_dash_P_513_0_ * MKK_dash_PP_531_0_ / ( Km + MAPK_dash_P_513_0_)) + </body> + </notes> + <math xmlns="http://www.w3.org/1998/Math/MathML"> + <apply> + <times/> + <ci> kinetics_479_0_ </ci> + <apply> + <divide/> + <apply> + <times/> + <ci> kcat </ci> + <ci> MAPK_dash_P_513_0_ </ci> + <ci> MKK_dash_PP_531_0_ </ci> + </apply> + <apply> + <plus/> + <ci> Km </ci> + <ci> MAPK_dash_P_513_0_ </ci> + </apply> + </apply> + </apply> + </math> + <listOfLocalParameters> + <localParameter id="Km" value="1.500006000024e-05" units="mmole_per_litre"/> + <localParameter id="kcat" value="0.025" units="per_second"/> + </listOfLocalParameters> + </kineticLaw> + </reaction> + </listOfReactions> + <groups:listOfGroups> + <groups:group groups:id="MAPK" groups:kind="collection"> + <annotation> + <moose:GroupAnnotation> + <moose:Compartment>kinetics</moose:Compartment> + <moose:bgColor>yellow</moose:bgColor> + </moose:GroupAnnotation> + </annotation> + <groups:listOfMembers> + <groups:member groups:idRef="MAPK_487_0_"/> + <groups:member groups:idRef="MKKK_489_0_"/> + <groups:member groups:idRef="MKK_491_0_"/> + <groups:member groups:idRef="int1_493_0_"/> + <groups:member groups:idRef="MKKK_dash_P_497_0_"/> + <groups:member groups:idRef="int3_503_0_"/> + <groups:member groups:idRef="int5_507_0_"/> + <groups:member groups:idRef="MKK_dash_P_511_0_"/> + <groups:member groups:idRef="MAPK_dash_P_513_0_"/> + <groups:member groups:idRef="int2_515_0_"/> + <groups:member groups:idRef="int4_519_0_"/> + <groups:member groups:idRef="Ras_dash_MKKKK_523_0_"/> + <groups:member groups:idRef="inactiveRas_dash_MKKK_527_0_"/> + <groups:member groups:idRef="MKK_dash_PP_531_0_"/> + <groups:member groups:idRef="MAPK_dash_PP_537_0_"/> + <groups:member groups:idRef="Neg_feedback_529_0_"/> + <groups:member groups:idRef="_2_495_0_"/> + <groups:member groups:idRef="_3_499_0_"/> + <groups:member groups:idRef="_4_501_0_"/> + <groups:member groups:idRef="_6_505_0_"/> + <groups:member groups:idRef="_10_509_0_"/> + <groups:member groups:idRef="_5_517_0_"/> + <groups:member groups:idRef="_9_521_0_"/> + <groups:member groups:idRef="_1_525_0_"/> + <groups:member groups:idRef="_7_533_0_"/> + <groups:member groups:idRef="_8_535_0_"/> + </groups:listOfMembers> + </groups:group> + </groups:listOfGroups> + </model> +</sbml> diff --git a/neuroml/allChannelsCell/allChannelsCell.py b/neuroml/allChannelsCell/allChannelsCell.py index 7df463c13e68726d02a8cd3fbb655a2d5faef14f..ffeec42c033d7a91f047bc8ece2d0fb1d73e5bea 100644 --- a/neuroml/allChannelsCell/allChannelsCell.py +++ b/neuroml/allChannelsCell/allChannelsCell.py @@ -28,9 +28,9 @@ def loadGran98NeuroML_L123(filename): soma_path = populationDict['Gran'][1][0].path+'/Soma_0' somaVm = setupTable('somaVm',moose.Compartment(soma_path),'Vm') somaCa = setupTable('somaCa',moose.CaConc(soma_path+'/Gran_CaPool_98'),'Ca') - somaIKC = setupTable('somaIKC',moose.HHChannel(soma_path+'/KC_CML'),'Gk') - somaIKCa = setupTable('somaIKCa',moose.HHChannel(soma_path+'/Gran_KCa_98'),'Gk') - #KDrX = setupTable('ChanX',moose.HHChannel(soma_path+'/Gran_KDr_98'),'X') + somaIKC = setupTable('somaIKC',moose.element(soma_path+'/KC_CML'),'Gk') + somaIKCa = setupTable('somaIKCa',moose.element(soma_path+'/Gran_KCa_98'),'Gk') + #KDrX = setupTable('ChanX',moose.element(soma_path+'/Gran_KDr_98'),'X') soma = moose.Compartment(soma_path) print("Reinit MOOSE ... ") resetSim(['/elec','/cells'],simdt,plotdt) # from moose.utils diff --git a/paper-2015/rxdSpineSize.py b/paper-2015/rxdSpineSize.py deleted file mode 100644 index df322e085e7b788a7298ca883e1c304097ecbdf4..0000000000000000000000000000000000000000 --- a/paper-2015/rxdSpineSize.py +++ /dev/null @@ -1,278 +0,0 @@ -################################################################## -## This program is part of 'MOOSE', the -## Messaging Object Oriented Simulation Environment. -## Copyright (C) 2015 Upinder S. Bhalla. and NCBS -## It is made available under the terms of the -## GNU Lesser General Public License version 2.1 -## See the file COPYING.LIB for the full notice. -## -## rxdSpineSize.py: Builds a cell with spines and a propagating reaction -## wave. Products diffuse into the spine and cause it to get bigger. -################################################################## -import math -import pylab -import numpy -import matplotlib.pyplot as plt -import moose -import sys -sys.path.append( '../util' ) -import rdesigneur as rd -from PyQt4 import QtGui -import moogli -import moogli.extensions.moose -import matplotlib - -doMoo = True -PI = 3.141592653 -ScalingForTesting = 10 -RM = 1.0 / ScalingForTesting -RA = 1.0 * ScalingForTesting -CM = 0.01 * ScalingForTesting -runtime = 100.0 -frameruntime = 1.0 -diffConst = 5e-12 -dendLen = 100e-6 -diffLen = 1.0e-6 -dendDia = 2e-6 -somaDia = 5e-6 -concInit = 0.001 # 1 millimolar -spineSpacing = 10e-6 -spineSpacingDistrib = 1e-6 -spineSize = 1.0 -spineSizeDistrib = 0.5 -spineAngle= numpy.pi / 2.0 -spineAngleDistrib = 0.0 - -def makeCellProto( name ): - elec = moose.Neuron( '/library/' + name ) - ecompt = [] - soma = rd.buildCompt( elec, 'soma', dx=somaDia, dia=somaDia, x=-somaDia, RM=RM, RA=RA, CM=CM ) - dend = rd.buildCompt( elec, 'dend', dx=dendLen, dia=dendDia, x=0, RM=RM, RA=RA, CM=CM ) - moose.connect( soma, 'axial', dend, 'raxial' ) - elec.buildSegmentTree() - -def makeChemProto( name ): - chem = moose.Neutral( '/library/' + name ) - comptVol = diffLen * dendDia * dendDia * PI / 4.0 - for i in ( ['dend', comptVol], ['spine', 1e-19], ['psd', 1e-20] ): - print(('making ', i)) - compt = moose.CubeMesh( chem.path + '/' + i[0] ) - compt.volume = i[1] - z = moose.Pool( compt.path + '/z' ) - z.concInit = 0.0 - z.diffConst = diffConst - nInit = comptVol * 6e23 * concInit - nstr = str( 1/nInit) - - x = moose.Pool( chem.path + '/dend/x' ) - x.diffConst = diffConst - func = moose.Function( x.path + '/func' ) - func.expr = "-x0 * (0.3 - " + nstr + " * x0) * ( 1 - " + nstr + " * x0)" - print((func.expr)) - func.x.num = 1 - moose.connect( x, 'nOut', func.x[0], 'input' ) - moose.connect( func, 'valueOut', x, 'increment' ) - z = moose.element( '/library/' + name + '/dend/z' ) - reac = moose.Reac( '/library/' + name + '/dend/reac' ) - reac.Kf = 1 - reac.Kb = 10 - moose.connect( reac, 'sub', x, 'reac' ) - moose.connect( reac, 'prd', z, 'reac' ) - -def makeModel(): - moose.Neutral( '/library' ) - makeCellProto( 'cellProto' ) - makeChemProto( 'cProto' ) - rdes = rd.rdesigneur( useGssa = False, - turnOffElec = True, - combineSegments = False, - stealCellFromLibrary = True, - diffusionLength = 1e-6, - cellProto = [['cellProto', 'elec' ]] , - spineProto = [['makePassiveSpine()', 'spine' ]] , - chemProto = [['cProto', 'chem' ]] , - spineDistrib = [ - ['spine', '#', - str( spineSpacing ), str( spineSpacingDistrib ), - str( spineSize ), str( spineSizeDistrib ), - str( spineAngle ), str( spineAngleDistrib ) - ] - ], - chemDistrib = [[ "chem", "#dend#,#psd#", "install", "1" ]], - adaptorList = [ - [ 'psd/z', 'n', 'spine', 'psdArea', 50.0e-15, 500e-15 ], - ] - ) - moose.seed(1234) - rdes.buildModel( '/model' ) - print (('built model')) - x = moose.vec( '/model/chem/dend/x' ) - x.concInit = 0.0 - for i in range( 0,20 ): - x[i].concInit = concInit - -def makePlot( name, srcVec, field ): - tab = moose.Table2('/graphs/' + name + 'Tab', len( srcVec ) ).vec - for i in zip(srcVec, tab): - moose.connect(i[1], 'requestOut', i[0], field) - return tab - - -def displayPlots(): - for x in moose.wildcardFind( '/graphs/#[0]' ): - tab = moose.vec( x ) - for i in range( len( tab ) ): - pylab.plot( tab[i].vector, label=x.name[:-3] + " " + str( i ) ) - pylab.legend() - pylab.figure() - -def main(): - """ - This illustrates the use of rdesigneur to build a simple dendrite with - spines, and then to resize them using spine fields. These are the - fields that would be changed dynamically in a simulation with reactions - that affect spine geometry. - In this simulation there is a propagating reaction wave using a - highly abstracted equation, whose product diffuses into the spines and - makes them bigger. - """ - makeModel() - elec = moose.element( '/model/elec' ) - elec.setSpineAndPsdMesh( moose.element('/model/chem/spine'), moose.element('/model/chem/psd') ) - - eHead = moose.wildcardFind( '/model/elec/#head#' ) - oldDia = [ i.diameter for i in eHead ] - graphs = moose.Neutral( '/graphs' ) - #makePlot( 'psd_x', moose.vec( '/model/chem/psd/x' ), 'getN' ) - #makePlot( 'head_x', moose.vec( '/model/chem/spine/x' ), 'getN' ) - makePlot( 'dend_x', moose.vec( '/model/chem/dend/x' ), 'getN' ) - makePlot( 'dend_z', moose.vec( '/model/chem/dend/z' ), 'getN' ) - makePlot( 'head_z', moose.vec( '/model/chem/spine/z' ), 'getN' ) - makePlot( 'psd_z', moose.vec( '/model/chem/psd/z' ), 'getN' ) - makePlot( 'headDia', eHead, 'getDiameter' ) - - ''' - debug = moose.PyRun( '/pyrun' ) - debug.tick = 10 - debug.runString = """print "RUNNING: ", moose.element( '/model/chem/psd/z' ).n, moose.element( '/model/elec/head0' ).diameter""" - ''' - moose.reinit() - moose.start( runtime ) - - displayPlots() - pylab.plot( oldDia, label = 'old Diameter' ) - pylab.plot( [ i.diameter for i in eHead ], label = 'new Diameter' ) - pylab.legend() - pylab.show() - - if doMoo: - app = QtGui.QApplication(sys.argv) - morphology = moogli.read_morphology_from_moose( name="", path = '/model/elec' ) - widget = moogli.MorphologyViewerWidget( morphology ) - widget.show() - return app.exec_() - quit() - -# Run the 'main' if this script is executed standalone. - -def showVisualization(): - makeModel() - elec = moose.element( '/model/elec' ) - elec.setSpineAndPsdMesh( moose.element('/model/chem/spine'), moose.element('/model/chem/psd') ) - - eHead = moose.wildcardFind( '/model/elec/#head#' ) - oldDia = [ i.diameter for i in eHead ] - graphs = moose.Neutral( '/graphs' ) - #makePlot( 'psd_x', moose.vec( '/model/chem/psd/x' ), 'getN' ) - #makePlot( 'head_x', moose.vec( '/model/chem/spine/x' ), 'getN' ) - makePlot( 'dend_x', moose.vec( '/model/chem/dend/x' ), 'getN' ) - dendZ = makePlot( 'dend_z', moose.vec( '/model/chem/dend/z' ), 'getN' ) - makePlot( 'head_z', moose.vec( '/model/chem/spine/z' ), 'getN' ) - psdZ = makePlot( 'psd_z', moose.vec( '/model/chem/psd/z' ), 'getN' ) - diaTab = makePlot( 'headDia', eHead, 'getDiameter' ) - dendrite = moose.element("/model/elec/dend") - dendrites = [dendrite.path + "/" + str(i) for i in range(len(dendZ))] - moose.reinit() - - spineHeads = moose.wildcardFind( '/model/elec/#head#') - - if doMoo: - app = QtGui.QApplication(sys.argv) - viewer = create_viewer("/model/elec", dendrite, dendZ, diaTab, psdZ) - viewer.showMaximized() - viewer.start() - return app.exec_() - - -def create_viewer(path, moose_dendrite, dendZ, diaTab, psdZ): - network = moogli.extensions.moose.read(path=path, - vertices=15) - - dendrite = network.groups["dendrite"].shapes[moose_dendrite.path] - chem_compt_group = dendrite.subdivide(len(dendZ)) - normalizer = moogli.utilities.normalizer(0.0, - 300.0, - clipleft=True, - clipright=True) - colormap = moogli.colors.MatplotlibColorMap(matplotlib.cm.rainbow) - mapper = moogli.utilities.mapper(colormap, normalizer) - - def readValues(tables): - values = [] - for i in range(len(tables)): - values.append(tables[i].vector[-1]) - return values - - def prelude(view): - view.home() - view.pitch(math.pi / 3.0) - view.zoom(0.3) - network.groups["soma"].set("color", moogli.colors.RED) - network.groups["spine"].groups["shaft"].set("color", - moogli.colors.RED) - - def interlude(view): - moose.start(frameruntime) - network.groups["spine"].groups["head"].set("radius", - readValues(diaTab), - lambda x: x * 0.5e6) - network.groups["spine"].groups["head"].set("color", - readValues(psdZ), - mapper) - chem_compt_group.set("color", - readValues(dendZ), - mapper) - if moose.element("/clock").currentTime >= runtime: - view.stop() - - viewer = moogli.Viewer("Viewer") - viewer.attach_shapes(list(network.shapes.values())) - viewer.detach_shape(dendrite) - viewer.attach_shapes(list(chem_compt_group.shapes.values())) - - view = moogli.View("main-view", - prelude=prelude, - interlude=interlude) - cb = moogli.widgets.ColorBar(id="cb", - title="Molecule #", - text_color=moogli.colors.BLACK, - position=moogli.geometry.Vec3f(0.975, 0.5, 0.0), - size=moogli.geometry.Vec3f(0.30, 0.05, 0.0), - text_font="/usr/share/fonts/truetype/ubuntu-font-family/Ubuntu-R.ttf", - orientation=math.pi / 2.0, - text_character_size=20, - label_formatting_precision=0, - colormap=moogli.colors.MatplotlibColorMap(matplotlib.cm.rainbow), - color_resolution=100, - scalar_range=moogli.geometry.Vec2f(0.0, - 300.0)) - view.attach_color_bar(cb) - viewer.attach_view(view) - return viewer - - -if __name__ == '__main__': - if doMoo: - showVisualization() - else: - main() diff --git a/snippets/RandSpikeStats.py b/snippets/RandSpikeStats.py index b7e5240c69d18f18289ec69176e14083b74a41e5..03626f90ec8fe34ba50bc7026c6cba525cbf1290 100644 --- a/snippets/RandSpikeStats.py +++ b/snippets/RandSpikeStats.py @@ -13,6 +13,7 @@ import moose dt = 0.01 runtime = 100 + def make_model(): sinePeriod = 50 maxFiringRate = 10 @@ -91,6 +92,7 @@ def main(): pylab.legend() pylab.show() + ''' moose.useClock( 0, '/stim', 'process' ) moose.useClock( 1, '/spike', 'process' ) @@ -102,8 +104,6 @@ def main(): moose.setClock( i, dt ) moose.useClock( 8, '/plot#', 'process' ) ''' - - # Run the 'main' if this script is executed standalone. if __name__ == '__main__': main() diff --git a/snippets/analogStimTable.py b/snippets/analogStimTable.py index 05889bc84736f45a6debafbe5f49d96d94b849df..8942fa5f54632c55b2ebd4aa679272b26afea5b8 100644 --- a/snippets/analogStimTable.py +++ b/snippets/analogStimTable.py @@ -85,11 +85,7 @@ def analogStimTable(): pylab.show() if __name__ == '__main__': - analogStimTable() -if __name__ == '__main__': - main - # # stimtable.py ends here diff --git a/snippets/analogStimTable.py~ b/snippets/analogStimTable.py~ deleted file mode 100644 index f1cf3c6c21846263b634a0317f373133f90ad808..0000000000000000000000000000000000000000 --- a/snippets/analogStimTable.py~ +++ /dev/null @@ -1,95 +0,0 @@ -# analogStimTable.py --- -# -# Filename: analogStimTable.py -# Description: -# Author: Upi Bhalla -# -# This program is free software; you can redistribute it and/or -# modify it under the terms of the GNU General Public License as -# published by the Free Software Foundation; either version 3, or -# (at your option) any later version. -# -# This program is distributed in the hope that it will be useful, -# but WITHOUT ANY WARRANTY; without even the implied warranty of -# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU -# General Public License for more details. -# -# You should have received a copy of the GNU General Public License -# along with this program; see the file COPYING. If not, write to -# the Free Software Foundation, Inc., 51 Franklin Street, Fifth -# Floor, Boston, MA 02110-1301, USA. -# - -import numpy as np -import pylab -import moose -from moose import utils - -def analogStimTable(): - simtime = 150 - simdt = 0.1 - model = moose.Neutral('/model') - data = moose.Neutral('/data') - # This is the stimulus generator - stimtable = moose.StimulusTable('/model/stim') - a = moose.BufPool( '/model/a' ) - b = moose.Pool( '/model/b' ) - reac = moose.Reac( '/model/reac' ) - reac.Kf = 0.1 - reac.Kb = 0.1 - moose.connect( stimtable, 'output', a, 'setConcInit' ) - moose.connect( reac, 'sub', a, 'reac' ) - moose.connect( reac, 'prd', b, 'reac' ) - aPlot = moose.Table('/data/aPlot') - moose.connect(aPlot, 'requestOut', a, 'getConc') - bPlot = moose.Table('/data/bPlot') - moose.connect(bPlot, 'requestOut', b, 'getConc') - moose.setClock( stimtable.tick, simdt ) - moose.setClock( a.tick, simdt ) - moose.setClock( aPlot.tick, simdt ) - - #################################################### - # Here we set up the stimulus table. It is half a sine-wave. - stim = [ np.sin(0.01 * float(i) ) for i in range( 314 )] - stimtable.vector = stim - stimtable.stepSize = 0 # This forces use of current time as x value - - # The table will interpolate its contents over the time start to stop: - # At values less than startTime, it emits the first value in table - stimtable.startTime = 5 - # At values more than stopTime, it emits the last value in table - stimtable.stopTime = 60 - stimtable.doLoop = 1 # Enable repeat playbacks. - stimtable.loopTime = 10 + simtime / 2.0 # Repeat playback over this time - - moose.reinit() - moose.start(simtime) - t = [ x * simdt for x in range( len( aPlot.vector ) )] - pylab.plot( t, aPlot.vector, label='Stimulus waveform' ) - pylab.plot( t, bPlot.vector, label='Reaction product b' ) - pylab.legend() - pylab.show() - -def main(): - """ -Example of using a StimulusTable as an analog signal source in -a reaction system. It could be used similarly to give other -analog inputs to a model, such as a current or voltage clamp signal. - -This demo creates a StimulusTable and assigns it half a sine wave. -Then we assign the start time and period over which to emit the wave. -The output of the StimTable is sent to a pool **a**, which participates -in a trivial reaction:: - - table ----> a <===> b - -The output of **a** and **b** are recorded in a regular table -for plotting. - """ - analogStimTable() - -if __name__ == '__main__': - main - -# -# stimtable.py ends here diff --git a/snippets/convert_Genesis2Sbml.py b/snippets/convert_Genesis2Sbml.py index c24d77c8b46588c3b16dfcfedf17f8867bf8cf8e..0843dcd23800a1a6f83a3f38dce6754abd6d8a5b 100644 --- a/snippets/convert_Genesis2Sbml.py +++ b/snippets/convert_Genesis2Sbml.py @@ -46,7 +46,6 @@ # Code: import moose -from moose.SBML import * def main(): """This example illustrates loading a kinetic model defined in Genesis format @@ -58,7 +57,7 @@ def main(): moose.loadModel('../genesis/Kholodenko.g','/Kholodenko') #Writes model to xml file - written = mooseWriteSBML('/Kholodenko','../genesis/Kholodenko_tosbml.xml') + written = moose.mooseWriteSBML('/Kholodenko','../genesis/Kholodenko_tosbml.xml') print(written) if __name__ == '__main__': diff --git a/snippets/crossComptNeuroMesh.py.png b/snippets/crossComptNeuroMesh.py.png new file mode 100644 index 0000000000000000000000000000000000000000..130c8446d0a064cbdff9f09228c633b6d1a2e6f0 Binary files /dev/null and b/snippets/crossComptNeuroMesh.py.png differ diff --git a/snippets/crossComptSimpleReac.py b/snippets/crossComptSimpleReac.py index 5763f502fb741d9d5ee81c4d38ca4caa61c32a84..ca428766dd61ad1e7f6b999d44aa5a525f7e0af8 100644 --- a/snippets/crossComptSimpleReac.py +++ b/snippets/crossComptSimpleReac.py @@ -30,7 +30,7 @@ import math import matplotlib.pyplot as plt -import numpy +import numpy as np import moose def makeModel(): @@ -161,7 +161,7 @@ def main(): ## Iterate through all plots, dump their contents to data.plot. for x in moose.wildcardFind( '/model/graphs/conc#' ): - t = numpy.linspace( 0, runtime, x.vector.size ) # sec + t = np.linspace( 0, runtime, x.vector.size ) # sec plt.plot( t, x.vector, label=x.name ) plt.legend() plt.show() diff --git a/snippets/diffSpinyNeuron.py b/snippets/diffSpinyNeuron.py index 93f4ab7ff4b34b77664841d3e221bc1b14a0517d..5749b95ef5f4a341ac7165050bc42fcf1e3081d4 100644 --- a/snippets/diffSpinyNeuron.py +++ b/snippets/diffSpinyNeuron.py @@ -267,8 +267,6 @@ def main(): moose.setClock( i, chemdt ) # for the chem objects moose.setClock( 10, diffdt ) # for the diffusion moose.setClock( 18, plotdt ) # for the output tables. - ''' - ''' moose.reinit() t1 = time.time( ) diff --git a/snippets/funcInputToPools.py b/snippets/funcInputToPools.py index acaa58c8d11090a0693a613b24a2e9455041ac38..9b17fe8c7bad776ca29e5c217060a1fd54c700a7 100644 --- a/snippets/funcInputToPools.py +++ b/snippets/funcInputToPools.py @@ -120,4 +120,4 @@ def main(): # Run the 'main' if this script is executed standalone. if __name__ == '__main__': - main() + main() diff --git a/snippets/function.py~ b/snippets/function.py~ deleted file mode 100644 index 8b574ea0e842549f2b96304a7795df254ba13e6d..0000000000000000000000000000000000000000 --- a/snippets/function.py~ +++ /dev/null @@ -1,200 +0,0 @@ -# function.py --- -# -# Filename: function.py -# Description: -# Author: Subhasis Ray -# Maintainer: -# Created: Tue Sep 9 17:59:50 2014 (+0530) -# Version: -# Last-Updated: Sun Dec 20 00:02:50 2015 (-0500) -# By: subha -# Update #: 4 -# URL: -# Keywords: -# Compatibility: -# -# - -# Commentary: -# -# -# -# - -# Change log: -# -# -# -# -# This program is free software; you can redistribute it and/or -# modify it under the terms of the GNU General Public License as -# published by the Free Software Foundation; either version 3, or -# (at your option) any later version. -# -# This program is distributed in the hope that it will be useful, -# but WITHOUT ANY WARRANTY; without even the implied warranty of -# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU -# General Public License for more details. -# -# You should have received a copy of the GNU General Public License -# along with this program; see the file COPYING. If not, write to -# the Free Software Foundation, Inc., 51 Franklin Street, Fifth -# Floor, Boston, MA 02110-1301, USA. -# -# - -# Code: - -import numpy as np -import sys -import matplotlib.pyplot as plt - -import moose - -simtime = 1.0 - -def example(): - demo = moose.Neutral('/model') - function = moose.Function('/model/function') - function.c['c0'] = 1.0 - function.c['c1'] = 2.0 - function.x.num = 1 - function.expr = 'c0 * exp(c1*x0) * cos(y0) + sin(t)' - # mode 0 - evaluate function value, derivative and rate - # mode 1 - just evaluate function value, - # mode 2 - evaluate derivative, - # mode 3 - evaluate rate - function.mode = 0 - function.independent = 'y0' - nsteps = 1000 - xarr = np.linspace(0.0, 1.0, nsteps) - # Stimulus tables allow you to store sequences of numbers which - # are delivered via the 'output' message at each time step. This - # is a placeholder and in real scenario you will be using any - # sourceFinfo that sends out a double value. - input_x = moose.StimulusTable('/xtab') - input_x.vector = xarr - input_x.startTime = 0.0 - input_x.stepPosition = xarr[0] - input_x.stopTime = simtime - moose.connect(input_x, 'output', function.x[0], 'input') - - yarr = np.linspace(-np.pi, np.pi, nsteps) - input_y = moose.StimulusTable('/ytab') - input_y.vector = yarr - input_y.startTime = 0.0 - input_y.stepPosition = yarr[0] - input_y.stopTime = simtime - moose.connect(function, 'requestOut', input_y, 'getOutputValue') - - # data recording - result = moose.Table('/ztab') - moose.connect(result, 'requestOut', function, 'getValue') - derivative = moose.Table('/zprime') - moose.connect(derivative, 'requestOut', function, 'getDerivative') - rate = moose.Table('/dz_by_dt') - moose.connect(rate, 'requestOut', function, 'getRate') - x_rec = moose.Table('/xrec') - moose.connect(x_rec, 'requestOut', input_x, 'getOutputValue') - y_rec = moose.Table('/yrec') - moose.connect(y_rec, 'requestOut', input_y, 'getOutputValue') - - dt = simtime/nsteps - for ii in range(32): - moose.setClock(ii, dt) - moose.reinit() - moose.start(simtime) - - # Uncomment the following lines and the import matplotlib.pyplot as plt on top - # of this file to display the plot. - plt.subplot(3,1,1) - plt.plot(x_rec.vector, result.vector, 'r-', label='z = {}'.format(function.expr)) - z = function.c['c0'] * np.exp(function.c['c1'] * xarr) * np.cos(yarr) + np.sin(np.arange(len(xarr)) * dt) - plt.plot(xarr, z, 'b--', label='numpy computed') - plt.xlabel('x') - plt.ylabel('z') - plt.legend() - - plt.subplot(3,1,2) - plt.plot(y_rec.vector, derivative.vector, 'r-', label='dz/dy0') - # derivatives computed by putting x values in the analytical formula - dzdy = function.c['c0'] * np.exp(function.c['c1'] * xarr) * (- np.sin(yarr)) - plt.plot(yarr, dzdy, 'b--', label='numpy computed') - plt.xlabel('y') - plt.ylabel('dz/dy') - plt.legend() - - plt.subplot(3,1,3) - # *** BEWARE *** The first two entries are spurious. Entry 0 is - # *** from reinit sending out the defaults. Entry 2 is because - # *** there is no lastValue for computing real forward difference. - plt.plot(np.arange(2, len(rate.vector), 1) * dt, rate.vector[2:], 'r-', label='dz/dt') - dzdt = np.diff(z)/dt - plt.plot(np.arange(0, len(dzdt), 1.0) * dt, dzdt, 'b--', label='numpy computed') - plt.xlabel('t') - plt.ylabel('dz/dt') - plt.legend() - plt.tight_layout() - plt.show() - -def main(): - """ - Function objects can be used to evaluate expressions with arbitrary - number of variables and constants. We can assign expression of the - form:: - - f(c_, c1, ..., cM, x0, x1, ..., xN, y0,..., yP ) - - where `ci`'s are constants and `xi`'s and `yi`'s are variables. - - The constants must be defined before setting the expression and - variables are connected via messages. The constants can have any - name, but the variable names must be of the form x{i} or y{i} - where i is increasing integer starting from 0. - - The `xi`'s are field elements and you have to set their number - first (function.x.num = N). Then you can connect any source field - sending out double to the 'input' destination field of the - `x[i]`. - - The `yi`'s are useful when the required variable is a value field - and is not available as a source field. In that case you connect - the `requestOut` source field of the function element to the - `get{Field}` destination field on the target element. The `yi`'s - are automatically added on connecting. Thus, if you call:: - - moose.connect(function, 'requestOut', a, 'getSomeField') - moose.connect(function, 'requestOut', b, 'getSomeField') - - then ``a.someField`` will be assigned to ``y0`` and - ``b.someField`` will be assigned to ``y1``. - - In this example we evaluate the expression: ``z = c0 * exp(c1 * - x0) * cos(y0)`` - - with x0 ranging from -1 to +1 and y0 ranging from -pi to - +pi. These values are stored in two stimulus tables called xtab - and ytab respectively, so that at each timestep the next values of - x0 and y0 are assigned to the function. - - Along with the value of the expression itself we also compute its - derivative with respect to y0 and its derivative with respect to - time (rate). The former uses a five-point stencil for the - numerical differentiation and has a glitch at y=0. The latter uses - backward difference divided by dt. - - Unlike Func class, the number of variables and constants are - unlimited in Function and you can set all the variables via - messages. - - """ - example() - -if __name__ == '__main__': - main() - - - - -# -# function.py ends here diff --git a/snippets/intfire.py b/snippets/intfire.py index bfd6c80885e667a0a9647722d8573f2786df9074..ac81c7bc30efe9754edccd7a42e1ebbc223632c1 100644 --- a/snippets/intfire.py +++ b/snippets/intfire.py @@ -49,13 +49,12 @@ import moose def connect_two_intfires(): """ -Connect two IntFire neurons so that spike events in one gets -transmitted to synapse of the other. - + Connect two IntFire neurons so that spike events in one gets + transmitted to synapse of the other. """ - if1 = moose.IntFire('if1') - if2 = moose.IntFire('if2') - sf1 = moose.SimpleSynHandler( 'if1/sh' ) + if1 = moose.IntFire('/if1') + if2 = moose.IntFire('/if2') + sf1 = moose.SimpleSynHandler( '/if1/sh' ) moose.connect( sf1, 'activationOut', if1, 'activation' ) sf1.synapse.num = 1 syn1 = moose.element(sf1.synapse) @@ -64,13 +63,12 @@ transmitted to synapse of the other. def connect_spikegen(): """ -Connect a SpikeGen object to an IntFire neuron such that spike -events in spikegen get transmitted to the synapse of the IntFire -neuron. - -if3 = moose.IntFire('if3') + Connect a SpikeGen object to an IntFire neuron such that spike + events in spikegen get transmitted to the synapse of the IntFire + neuron. """ - sf3 = moose.SimpleSynHandler( 'if3/sh' ) + if3 = moose.IntFire('/if3') + sf3 = moose.SimpleSynHandler( '/if3/sh' ) moose.connect( sf3, 'activationOut', if3, 'activation' ) sf3.synapse.num = 1 sg = moose.SpikeGen('sg') @@ -79,7 +77,7 @@ if3 = moose.IntFire('if3') def setup_synapse(): """ -Create an intfire object and create two synapses on it. + Create an intfire object and create two synapses on it. """ if4 = moose.IntFire('if4') @@ -96,8 +94,8 @@ Create an intfire object and create two synapses on it. def main(): """ -Demonstrates connection between 2 IntFire neurons to observe -spike generation. + Demonstrates connection between 2 IntFire neurons to observe + spike generation. """ connect_two_intfires() diff --git a/snippets/lif.py b/snippets/lif.py index 0e091c2deacd4804dad9f910d00da59cdc48ea64..0bc941e095c26dacb83ea492435db4501af7660e 100644 --- a/snippets/lif.py +++ b/snippets/lif.py @@ -46,13 +46,12 @@ """ Demonstrates use of Leaky Integrate and Fire (LeakyIaf class) in moose. """ + import sys -sys.path.append('../../python') import os -os.environ['NUMPTHREADS'] = '1' import moose -from matplotlib import pyplot as plt +import matplotlib.pyplot as plt import numpy as np def setupmodel(modelpath, iaf_Rm, iaf_Cm, pulse_interval): diff --git a/snippets/loadSbmlmodel.py b/snippets/loadSbmlmodel.py index 6288215d586b0767d17e8157d737dc31e569869e..53ebd078f317da80b6923c1dc5eb6be9e0aa2fa9 100644 --- a/snippets/loadSbmlmodel.py +++ b/snippets/loadSbmlmodel.py @@ -43,40 +43,45 @@ import pylab import moose from moose.SBML import * -#from moose.chemUtil.add_Delete_ChemicalSolver import * +from moose.chemUtil.add_Delete_ChemicalSolver import * def main(): """ This example illustrates loading, running of an SBML model defined in XML format. -The model 00001-sbml-l3v1.xml is taken from l3v1 SBML testcase. +Default this file load's 00001-sbml-l3v1.xml which is taken from l3v1 SBML testcase. Plots are setup. Model is run for 20sec. As a general rule we created model under '/path/model' and plots under '/path/graphs'. - +If someone wants to load anyother file then + `python loadSbmlmodel filepath runtime` """ - mfile = "../genesis/00001-sbml-l3v1.xml" + dfilepath = "../genesis/00001-sbml-l3v1.xml" + druntime = 20.0 + msg = "" try: sys.argv[1] - except: - pass + except IndexError: + filepath = dfilepath + else: - mfile = sys.argv[1] - + filepath = sys.argv[1] + if not os.path.exists(filepath): + msg = "Filename or path does not exist",filepath,"loading default file",dfilepath + filepath = dfilepath + try: sys.argv[2] - except: - runtime = 20.0 + except : + runtime = druntime else: runtime = float(sys.argv[2]) - + sbmlId = moose.element('/') # Loading the sbml file into MOOSE, models are loaded in path/model - sbmlId = moose.SBML.readSBML.mooseReadSBML(mfile,'sbml') - - # Loading the sbml file into MOOSE, models are loaded in path/model - sbmlId = mooseReadSBML(mfile,'/sbml') + sbmlId = mooseReadSBML(filepath,'/sbml') if isinstance(sbmlId, (list, tuple)): - print(sbmlId) + print(sbmlId) + elif sbmlId.path != '/': s1 = moose.element('/sbml/model/compartment/S1') @@ -97,8 +102,8 @@ As a general rule we created model under '/path/model' and plots under '/path/gr # Reset and Run moose.reinit() moose.start(runtime) - return sbmlId,True - return sbmlId,False + return sbmlId,True,msg + return sbmlId,False,msg def displayPlots(): # Display all plots. @@ -112,6 +117,13 @@ def displayPlots(): quit() if __name__=='__main__': - modelPath, modelpathexist = main() + modelPath = moose.element('/') + modelpathexist = False + msg = "" + modelPath, modelpathexist,msg = main() + if msg: + print (msg) if modelpathexist == True: displayPlots() + + diff --git a/snippets/mcs.plot b/snippets/mcs.plot deleted file mode 100644 index 4868164922e2143ad51b2b0995056046c7ae1c39..0000000000000000000000000000000000000000 --- a/snippets/mcs.plot +++ /dev/null @@ -1,38076 +0,0 @@ -/newplot -/plotname 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a/snippets/multiComptSigNeur.py +++ b/snippets/multiComptSigNeur.py @@ -26,7 +26,8 @@ import os import math import pylab,numpy import moose - +import numpy +import matplotlib.pyplot as plt EREST_ACT = -70e-3 # Gate equations have the form: @@ -215,7 +216,7 @@ def makeElecPlots(): #addPlot( '/n/head0/gluR', 'getGk', 'elec/head0Gk' ) #addPlot( '/n/head2/gluR', 'getGk', 'elec/head2Gk' ) -def dumpPlots( fname ): +def dumpPlots( fname,runtime ): if ( os.path.exists( fname ) ): os.remove( fname ) for x in moose.wildcardFind( '/graphs/##[ISA=Table]' ): @@ -384,21 +385,21 @@ def makeChemInCubeMesh(): assert dendKinaseEnzCplx.volume == dendSide * dendSide * dendSide def makeSolvers( elecDt ): - # Put in the solvers, see how they fare. - # Here we kludge in a single chem solver for the whole system. - ksolve = moose.Ksolve( '/model/ksolve' ) - stoich = moose.Stoich( '/model/stoich' ) - stoich.compartment = moose.element( '/model/chem/neuroMesh' ) - stoich.ksolve = ksolve - stoich.path = '/model/chem/##' - #stoich.method = 'rk5' - moose.useClock( 5, '/model/ksolve', 'init' ) - moose.useClock( 6, '/model/ksolve', 'process' ) - # Here is the elec solver - hsolve = moose.HSolve( '/model/hsolve' ) - moose.useClock( 1, '/model/hsolve', 'process' ) - hsolve.dt = elecDt - hsolve.target = '/model/elec/compt' + # Put in the solvers, see how they fare. + # Here we kludge in a single chem solver for the whole system. + ksolve = moose.Ksolve( '/model/ksolve' ) + stoich = moose.Stoich( '/model/stoich' ) + stoich.compartment = moose.element( '/model/chem/neuroMesh' ) + stoich.ksolve = ksolve + stoich.path = '/model/chem/##' + #stoich.method = 'rk5' + moose.useClock( 5, '/model/ksolve', 'init' ) + moose.useClock( 6, '/model/ksolve', 'process' ) + # Here is the elec solver + hsolve = moose.HSolve( '/model/hsolve' ) + moose.useClock( 1, '/model/hsolve', 'process' ) + hsolve.dt = elecDt + hsolve.target = '/model/elec/compt' def makeCubeMultiscale(): makeSpinyCompt() @@ -498,25 +499,26 @@ def testCubeMultiscale( useSolver ): makeSolvers( elecDt ) moose.reinit() moose.start( 1.0 ) - dumpPlots( plotName ) + runtime = 1.0 + dumpPlots( plotName,runtime ) def main(): - """ - A toy compartmental neuronal + chemical model. The neuronal model is in - a dendrite and five dendritic spines. The chemical model is in three - compartments: one for the dendrite, - one for the spine head, and one for the postsynaptic density. However, - the spatial geometry of the neuronal model is ignored and the chemical - model just has three cubic volumes for each compartment. So there - is a functional mapping but spatial considerations are lost. - The electrical model contributes the incoming calcium flux to the - chemical model. This comes from the synaptic channels. - The signalling here does two things to the electrical model. First, the - amount of receptor in the chemical model controls the amount of glutamate - receptor in the PSD. Second, there is a small kinase reaction that - phosphorylates and inactivates the dendritic potassium channel. - """ - testCubeMultiscale( 1 ) + """ + A toy compartmental neuronal + chemical model. The neuronal model is in + a dendrite and five dendritic spines. The chemical model is in three + compartments: one for the dendrite, + one for the spine head, and one for the postsynaptic density. However, + the spatial geometry of the neuronal model is ignored and the chemical + model just has three cubic volumes for each compartment. So there + is a functional mapping but spatial considerations are lost. + The electrical model contributes the incoming calcium flux to the + chemical model. This comes from the synaptic channels. + The signalling here does two things to the electrical model. First, the + amount of receptor in the chemical model controls the amount of glutamate + receptor in the PSD. Second, there is a small kinase reaction that + phosphorylates and inactivates the dendritic potassium channel. + """ + testCubeMultiscale( 1 ) if __name__ == '__main__': main() diff --git a/snippets/nsdf_demo.h5 b/snippets/nsdf_demo.h5 index 1e67dd0d1e6ab30bb8aa15494b479f51f9f84404..9ddf7c02668ba77d8a6640a102222b57cb227237 100644 Binary files a/snippets/nsdf_demo.h5 and b/snippets/nsdf_demo.h5 differ diff --git a/snippets/nsdf_vec_demo.h5 b/snippets/nsdf_vec_demo.h5 deleted file mode 100644 index c58441f1caffa9b7954c35b989672a7dd23f99b1..0000000000000000000000000000000000000000 Binary files a/snippets/nsdf_vec_demo.h5 and /dev/null differ diff --git a/snippets/output_hdfdemo.h5 b/snippets/output_hdfdemo.h5 index 392542373caba52878c01627ad94146bcf81babf..118b31168b10062921e6e62aaaba64ce7ca087ae 100644 Binary files a/snippets/output_hdfdemo.h5 and b/snippets/output_hdfdemo.h5 differ diff --git a/snippets/reacDiffBranchingNeuron.py b/snippets/reacDiffBranchingNeuron.py index d51265e9933fd1a8ee36cc3a1d0e797b59b77070..96ddc14532edc50f164e40c596059c7963409b96 100644 --- a/snippets/reacDiffBranchingNeuron.py +++ b/snippets/reacDiffBranchingNeuron.py @@ -119,12 +119,21 @@ def makeChemModel( compt ): """ This function sets up a simple oscillatory chemical system within the script. The reaction system is:: +<<<<<<< HEAD s ---a---> a // s goes to a, catalyzed by a. s ---a---> b // s goes to b, catalyzed by a. a ---b---> s // a goes to s, catalyzed by b. b -------> s // b is degraded irreversibly to s. +======= + + s ---a---> a // s goes to a, catalyzed by a. + s ---a---> b // s goes to b, catalyzed by a. + a ---b---> s // a goes to s, catalyzed by b. + b -------> s // b is degraded irreversibly to s. + +>>>>>>> 0e491aa41584cf7a66c0e242374d8ee61660eb7b in sum, **a** has a positive feedback onto itself and also forms **b**. **b** has a negative feedback onto **a**. Finally, the diffusion constant for **a** is 1/10 that of **b**. diff --git a/snippets/rxdFuncDiffusion.py b/snippets/rxdFuncDiffusion.py index fd8d0c8ec2645017f600b3d1297ec3fe36f64744..fa2771be632418b42fb5d440e6535bb877b44d6a 100644 --- a/snippets/rxdFuncDiffusion.py +++ b/snippets/rxdFuncDiffusion.py @@ -70,4 +70,4 @@ def main(): # print( '[INFO] Wrote results to %s' % outfile ) if __name__ == '__main__': - main() \ No newline at end of file + main() diff --git a/snippets/rxdFuncDiffusionStoch.py b/snippets/rxdFuncDiffusionStoch.py index 0a3315ff79046bb0a00e259de7829f633ea1891a..e19c11707e00f42c13e5e8cee1f06b672e03db29 100644 --- a/snippets/rxdFuncDiffusionStoch.py +++ b/snippets/rxdFuncDiffusionStoch.py @@ -73,5 +73,3 @@ def main(): if __name__ == '__main__': main() -if __name__ == '__main__': - main() diff --git a/snippets/rxdSpineSize.py b/snippets/rxdSpineSize.py deleted file mode 100644 index e1c87127b8f29222ff87ad05ca1e70f89346391f..0000000000000000000000000000000000000000 --- a/snippets/rxdSpineSize.py +++ /dev/null @@ -1,260 +0,0 @@ -import math -import pylab -import numpy -import matplotlib.pyplot as plt -import moose -import sys -sys.path.append( '../util' ) -import rdesigneur as rd -from PyQt4 import QtGui -import moogli -import moogli.extensions.moose -import matplotlib - -doMoo = True -PI = 3.141592653 -ScalingForTesting = 10 -RM = 1.0 / ScalingForTesting -RA = 1.0 * ScalingForTesting -CM = 0.01 * ScalingForTesting -runtime = 100.0 -frameruntime = 1.0 -diffConst = 5e-12 -dendLen = 100e-6 -diffLen = 1.0e-6 -dendDia = 2e-6 -somaDia = 5e-6 -concInit = 0.001 # 1 millimolar -spineSpacing = 10e-6 -spineSpacingDistrib = 1e-6 -spineSize = 1.0 -spineSizeDistrib = 0.5 -spineAngle= numpy.pi / 2.0 -spineAngleDistrib = 0.0 - -def makeCellProto( name ): - elec = moose.Neuron( '/library/' + name ) - ecompt = [] - soma = rd.buildCompt( elec, 'soma', dx=somaDia, dia=somaDia, x=-somaDia, RM=RM, RA=RA, CM=CM ) - dend = rd.buildCompt( elec, 'dend', dx=dendLen, dia=dendDia, x=0, RM=RM, RA=RA, CM=CM ) - moose.connect( soma, 'axial', dend, 'raxial' ) - elec.buildSegmentTree() - -def makeChemProto( name ): - chem = moose.Neutral( '/library/' + name ) - comptVol = diffLen * dendDia * dendDia * PI / 4.0 - for i in ( ['dend', comptVol], ['spine', 1e-19], ['psd', 1e-20] ): - print(('making ', i)) - compt = moose.CubeMesh( chem.path + '/' + i[0] ) - compt.volume = i[1] - z = moose.Pool( compt.path + '/z' ) - z.concInit = 0.0 - z.diffConst = diffConst - nInit = comptVol * 6e23 * concInit - nstr = str( 1/nInit) - - x = moose.Pool( chem.path + '/dend/x' ) - x.diffConst = diffConst - func = moose.Function( x.path + '/func' ) - func.expr = "-x0 * (0.3 - " + nstr + " * x0) * ( 1 - " + nstr + " * x0)" - print((func.expr)) - func.x.num = 1 - moose.connect( x, 'nOut', func.x[0], 'input' ) - moose.connect( func, 'valueOut', x, 'increment' ) - z = moose.element( '/library/' + name + '/dend/z' ) - reac = moose.Reac( '/library/' + name + '/dend/reac' ) - reac.Kf = 1 - reac.Kb = 10 - moose.connect( reac, 'sub', x, 'reac' ) - moose.connect( reac, 'prd', z, 'reac' ) - -def makeModel(): - moose.Neutral( '/library' ) - makeCellProto( 'cellProto' ) - makeChemProto( 'cProto' ) - rdes = rd.rdesigneur( useGssa = False, - turnOffElec = True, - combineSegments = False, - stealCellFromLibrary = True, - diffusionLength = 1e-6, - cellProto = [['cellProto', 'elec' ]] , - spineProto = [['makePassiveSpine()', 'spine' ]] , - chemProto = [['cProto', 'chem' ]] , - spineDistrib = [ - ['spine', '#', - str( spineSpacing ), str( spineSpacingDistrib ), - str( spineSize ), str( spineSizeDistrib ), - str( spineAngle ), str( spineAngleDistrib ) - ] - ], - chemDistrib = [[ "chem", "#dend#,#psd#", "install", "1" ]], - adaptorList = [ - [ 'psd/z', 'n', 'spine', 'psdArea', 50.0e-15, 500e-15 ], - ] - ) - moose.seed(1234) - rdes.buildModel( '/model' ) - print (('built model')) - x = moose.vec( '/model/chem/dend/x' ) - x.concInit = 0.0 - for i in range( 0,20 ): - x[i].concInit = concInit - -def makePlot( name, srcVec, field ): - tab = moose.Table2('/graphs/' + name + 'Tab', len( srcVec ) ).vec - for i in zip(srcVec, tab): - moose.connect(i[1], 'requestOut', i[0], field) - return tab - - -def displayPlots(): - for x in moose.wildcardFind( '/graphs/#[0]' ): - tab = moose.vec( x ) - for i in range( len( tab ) ): - pylab.plot( tab[i].vector, label=x.name[:-3] + " " + str( i ) ) - pylab.legend() - pylab.figure() - -def main(): - """ -This illustrates the use of rdesigneur to build a simple dendrite with -spines, and then to resize them using spine fields. These are the -fields that would be changed dynamically in a simulation with reactions -that affect spine geometry. -In this simulation there is a propagating reaction wave using a -highly abstracted equation, whose product diffuses into the spines and -makes them bigger. - """ - - eHead = moose.wildcardFind( '/model/elec/#head#' ) - oldDia = [ i.diameter for i in eHead ] - graphs = moose.Neutral( '/graphs' ) - #makePlot( 'psd_x', moose.vec( '/model/chem/psd/x' ), 'getN' ) - #makePlot( 'head_x', moose.vec( '/model/chem/spine/x' ), 'getN' ) - makePlot( 'dend_x', moose.vec( '/model/chem/dend/x' ), 'getN' ) - makePlot( 'dend_z', moose.vec( '/model/chem/dend/z' ), 'getN' ) - makePlot( 'head_z', moose.vec( '/model/chem/spine/z' ), 'getN' ) - makePlot( 'psd_z', moose.vec( '/model/chem/psd/z' ), 'getN' ) - makePlot( 'headDia', eHead, 'getDiameter' ) - - ''' - debug = moose.PyRun( '/pyrun' ) - debug.tick = 10 - debug.runString = """print "RUNNING: ", moose.element( '/model/chem/psd/z' ).n, moose.element( '/model/elec/head0' ).diameter""" - ''' - moose.reinit() - moose.start( runtime ) - - displayPlots() - pylab.plot( oldDia, label = 'old Diameter' ) - pylab.plot( [ i.diameter for i in eHead ], label = 'new Diameter' ) - pylab.legend() - pylab.show() - - if doMoo: - app = QtGui.QApplication(sys.argv) - morphology = moogli.read_morphology_from_moose( name="", path = '/model/elec' ) - widget = moogli.MorphologyViewerWidget( morphology ) - widget.show() - return app.exec_() - quit() - -# Run the 'main' if this script is executed standalone. - - makeModel() - elec = moose.element( '/model/elec' ) - elec.setSpineAndPsdMesh( moose.element('/model/chem/spine'), moose.element('/model/chem/psd') ) - - eHead = moose.wildcardFind( '/model/elec/#head#' ) - oldDia = [ i.diameter for i in eHead ] - graphs = moose.Neutral( '/graphs' ) - #makePlot( 'psd_x', moose.vec( '/model/chem/psd/x' ), 'getN' ) - #makePlot( 'head_x', moose.vec( '/model/chem/spine/x' ), 'getN' ) - makePlot( 'dend_x', moose.vec( '/model/chem/dend/x' ), 'getN' ) - dendZ = makePlot( 'dend_z', moose.vec( '/model/chem/dend/z' ), 'getN' ) - makePlot( 'head_z', moose.vec( '/model/chem/spine/z' ), 'getN' ) - psdZ = makePlot( 'psd_z', moose.vec( '/model/chem/psd/z' ), 'getN' ) - diaTab = makePlot( 'headDia', eHead, 'getDiameter' ) - dendrite = moose.element("/model/elec/dend") - dendrites = [dendrite.path + "/" + str(i) for i in range(len(dendZ))] - moose.reinit() - - spineHeads = moose.wildcardFind( '/model/elec/#head#') - - if doMoo: - app = QtGui.QApplication(sys.argv) - viewer = create_viewer("/model/elec", dendrite, dendZ, diaTab, psdZ) - viewer.showMaximized() - viewer.start() - return app.exec_() - - -def create_viewer(path, moose_dendrite, dendZ, diaTab, psdZ): - network = moogli.extensions.moose.read(path=path, - vertices=15) - - dendrite = network.groups["dendrite"].shapes[moose_dendrite.path] - chem_compt_group = dendrite.subdivide(len(dendZ)) - normalizer = moogli.utilities.normalizer(0.0, - 300.0, - clipleft=True, - clipright=True) - colormap = moogli.colors.MatplotlibColorMap(matplotlib.cm.rainbow) - mapper = moogli.utilities.mapper(colormap, normalizer) - - def readValues(tables): - values = [] - for i in range(len(tables)): - values.append(tables[i].vector[-1]) - return values - - def prelude(view): - view.home() - view.pitch(math.pi / 3.0) - view.zoom(0.3) - network.groups["soma"].set("color", moogli.colors.RED) - network.groups["spine"].groups["shaft"].set("color", - moogli.colors.RED) - - def interlude(view): - moose.start(frameruntime) - network.groups["spine"].groups["head"].set("radius", - readValues(diaTab), - lambda x: x * 0.5e6) - network.groups["spine"].groups["head"].set("color", - readValues(psdZ), - mapper) - chem_compt_group.set("color", - readValues(dendZ), - mapper) - if moose.element("/clock").currentTime >= runtime: - view.stop() - - viewer = moogli.Viewer("Viewer") - viewer.attach_shapes(list(network.shapes.values())) - viewer.detach_shape(dendrite) - viewer.attach_shapes(list(chem_compt_group.shapes.values())) - - view = moogli.View("main-view", - prelude=prelude, - interlude=interlude) - cb = moogli.widgets.ColorBar(id="cb", - title="Molecule #", - text_color=moogli.colors.BLACK, - position=moogli.geometry.Vec3f(0.975, 0.5, 0.0), - size=moogli.geometry.Vec3f(0.30, 0.05, 0.0), - text_font="/usr/share/fonts/truetype/ubuntu-font-family/Ubuntu-R.ttf", - orientation=math.pi / 2.0, - text_character_size=20, - label_formatting_precision=0, - colormap=moogli.colors.MatplotlibColorMap(matplotlib.cm.rainbow), - color_resolution=100, - scalar_range=moogli.geometry.Vec2f(0.0, - 300.0)) - view.attach_color_bar(cb) - viewer.attach_view(view) - return viewer - - -if __name__ == '__main__': - main() diff --git a/snippets/savemodel.py b/snippets/savemodel.py index d913d9352e04e93ef6a7f549f6cd74570a801a62..7c106cbdbf85f4c9353a4f9b73bf8f13410ce1ca 100644 --- a/snippets/savemodel.py +++ b/snippets/savemodel.py @@ -48,7 +48,6 @@ import os import sys import moose -from moose.genesis import * cwd = os.path.dirname( os.path.realpath( __file__ ) ) @@ -58,7 +57,7 @@ def main(): file using moose """ model = moose.loadModel(os.path.join( cwd, '../genesis/reaction.g'), '/model') - written = mooseWriteKkit('/model', 'testsave.g') + written = moose.mooseWriteKkit('/model', 'testsave.g') print( written ) if __name__ == '__main__': main() diff --git a/snippets/scaleVolumes.py b/snippets/scaleVolumes.py deleted file mode 100644 index 08ed0c025385fa30f3fc626126e0be237966f461..0000000000000000000000000000000000000000 --- a/snippets/scaleVolumes.py +++ /dev/null @@ -1,163 +0,0 @@ -######################################################################### -## This program is part of 'MOOSE', the -## Messaging Object Oriented Simulation Environment. -## Copyright (C) 2013 Upinder S. Bhalla. and NCBS -## It is made available under the terms of the -## GNU Lesser General Public License version 2.1 -## See the file COPYING.LIB for the full notice. -######################################################################### - -import math -import pylab -import numpy -import moose - -# Ugly python hack to make input behave the same on python2 and python3. -try: - input = raw_input -except NameError as e: - pass - -def makeModel(): - # create container for model - model = moose.Neutral( 'model' ) - compartment = moose.CubeMesh( '/model/compartment' ) - compartment.volume = 1e-20 - # the mesh is created automatically by the compartment - mesh = moose.element( '/model/compartment/mesh' ) - - # create molecules and reactions - a = moose.Pool( '/model/compartment/a' ) - b = moose.Pool( '/model/compartment/b' ) - c = moose.Pool( '/model/compartment/c' ) - enz1 = moose.Enz( '/model/compartment/b/enz1' ) - enz2 = moose.Enz( '/model/compartment/c/enz2' ) - cplx1 = moose.Pool( '/model/compartment/b/enz1/cplx' ) - cplx2 = moose.Pool( '/model/compartment/c/enz2/cplx' ) - reac = moose.Reac( '/model/compartment/reac' ) - - # connect them up for reactions - moose.connect( enz1, 'sub', a, 'reac' ) - moose.connect( enz1, 'prd', b, 'reac' ) - moose.connect( enz1, 'enz', b, 'reac' ) - moose.connect( enz1, 'cplx', cplx1, 'reac' ) - - moose.connect( enz2, 'sub', b, 'reac' ) - moose.connect( enz2, 'prd', a, 'reac' ) - moose.connect( enz2, 'enz', c, 'reac' ) - moose.connect( enz2, 'cplx', cplx2, 'reac' ) - - moose.connect( reac, 'sub', a, 'reac' ) - moose.connect( reac, 'prd', b, 'reac' ) - - # connect them up to the compartment for volumes - #for x in ( a, b, c, cplx1, cplx2 ): - # moose.connect( x, 'mesh', mesh, 'mesh' ) - - # Assign parameters - a.concInit = 1 - b.concInit = 0 - c.concInit = 0.01 - enz1.kcat = 0.4 - enz1.Km = 4 - enz2.kcat = 0.6 - enz2.Km = 0.01 - reac.Kf = 0.001 - reac.Kb = 0.01 - - # Create the output tables - graphs = moose.Neutral( '/model/graphs' ) - outputA = moose.Table2( '/model/graphs/concA' ) - outputB = moose.Table2( '/model/graphs/concB' ) - - # connect up the tables - moose.connect( outputA, 'requestOut', a, 'getConc' ); - moose.connect( outputB, 'requestOut', b, 'getConc' ); - - ''' - # Schedule the whole lot - moose.setClock( 4, 0.01 ) # for the computational objects - moose.setClock( 8, 1.0 ) # for the plots - # The wildcard uses # for single level, and ## for recursive. - moose.useClock( 4, '/model/compartment/##', 'process' ) - moose.useClock( 8, '/model/graphs/#', 'process' ) - ''' - -def displayPlots(): - for x in moose.wildcardFind( '/model/graphs/conc#' ): - t = numpy.arange( 0, x.vector.size, 1 ) #sec - pylab.plot( t, x.vector, label=x.name ) - -def main(): - - """ - This example illustrates how to run a model at different volumes. - The key line is just to set the volume of the compartment:: - - compt.volume = vol - - If everything - else is set up correctly, then this change propagates through to all - reactions molecules. - - For a deterministic reaction one would not see any change in output - concentrations. - For a stochastic reaction illustrated here, one sees the level of - 'noise' - changing, even though the concentrations are similar up to a point. - This example creates a bistable model having two enzymes and a reaction. - One of the enzymes is autocatalytic. - This model is set up within the script rather than using an external - file. - The model is set up to run using the GSSA (Gillespie Stocahstic systems - algorithim) method in MOOSE. - - To run the example, run the script - - ``python scaleVolumes.py`` - - and hit ``enter`` every cycle to see the outcome of stochastic - calculations at ever smaller volumes, keeping concentrations the same. - """ - makeModel() - moose.seed( 11111 ) - gsolve = moose.Gsolve( '/model/compartment/gsolve' ) - stoich = moose.Stoich( '/model/compartment/stoich' ) - compt = moose.element( '/model/compartment' ); - stoich.compartment = compt - stoich.ksolve = gsolve - stoich.path = "/model/compartment/##" - #moose.setClock( 5, 1.0 ) # clock for the solver - #moose.useClock( 5, '/model/compartment/gsolve', 'process' ) - a = moose.element( '/model/compartment/a' ) - - for vol in ( 1e-19, 1e-20, 1e-21, 3e-22, 1e-22, 3e-23, 1e-23 ): - # Set the volume - compt.volume = vol - print(('vol = ', vol, ', a.concInit = ', a.concInit, ', a.nInit = ', a.nInit)) - - moose.reinit() - moose.start( 100.0 ) # Run the model for 100 seconds. - - a = moose.element( '/model/compartment/a' ) - b = moose.element( '/model/compartment/b' ) - - # move most molecules over to b - b.conc = b.conc + a.conc * 0.9 - a.conc = a.conc * 0.1 - moose.start( 100.0 ) # Run the model for 100 seconds. - - # move most molecules back to a - a.conc = a.conc + b.conc * 0.99 - b.conc = b.conc * 0.01 - moose.start( 100.0 ) # Run the model for 100 seconds. - - # Iterate through all plots, dump their contents to data.plot. - displayPlots() - pylab.show( block=False ) - #quit() - print(('vol = ', vol), 'hit 0 to go to next plot') - eval(str(input())) -# Run the 'main' if this script is executed standalone. -if __name__ == '__main__': - main( ) diff --git a/snippets/testsave.g b/snippets/testsave.g index e69de29bb2d1d6434b8b29ae775ad8c2e48c5391..5b6516f6d26217fbf06afd9991b13a2652bcaccd 100644 --- a/snippets/testsave.g +++ b/snippets/testsave.g @@ -0,0 +1,68 @@ +//genesis +// kkit Version 11 flat dumpfile + +// Saved on 100 +include kkit {argv 1} +FASTDT = 0.001 +SIMDT = 0.001 +CONTROLDT = 0.1 +PLOTDT = 0.1 +MAXTIME = 100 +TRANSIENT_TIME = 2 +VARIABLE_DT_FLAG = 0 +DEFAULT_VOL = 1.66666666667e-19 +VERSION = 11.0 +setfield /file/modpath value ~/scripts/modules +kparms + +//genesis +initdump -version 3 -ignoreorphans 1 +simobjdump table input output alloced step_mode stepsize x y z +simobjdump xtree path script namemode sizescale +simobjdump xcoredraw xmin xmax ymin ymax +simobjdump xtext editable +simobjdump xgraph xmin xmax ymin ymax overlay +simobjdump xplot pixflags script fg ysquish do_slope wy +simobjdump group xtree_fg_req xtree_textfg_req plotfield expanded movealone \ + link savename file version md5sum mod_save_flag x y z +simobjdump geometry size dim shape outside xtree_fg_req xtree_textfg_req x y z +simobjdump kpool DiffConst CoInit Co n nInit mwt nMin vol slave_enable \ + geomname xtree_fg_req xtree_textfg_req x y z +simobjdump kreac kf kb notes xtree_fg_req xtree_textfg_req x y z +simobjdump kenz CoComplexInit CoComplex nComplexInit nComplex vol k1 k2 k3 \ + keepconc usecomplex notes xtree_fg_req xtree_textfg_req link x y z +simobjdump stim level1 width1 delay1 level2 width2 delay2 baselevel trig_time \ + trig_mode notes xtree_fg_req xtree_textfg_req is_running x y z +simobjdump xtab input output alloced step_mode stepsize notes editfunc \ + xtree_fg_req xtree_textfg_req baselevel last_x last_y is_running x y z +simobjdump kchan perm gmax Vm is_active use_nernst notes xtree_fg_req \ + xtree_textfg_req x y z +simobjdump transport input output alloced step_mode stepsize dt delay clock \ + kf xtree_fg_req xtree_textfg_req x y z +simobjdump proto x y z +simundump geometry /kinetics/geometry 0 1.66666666667e-19 3 sphere "" white black -2 5 0 +simundump kpool /kinetics/Sub 0 0.0 0 0 0 100.369025 0 0 100.369025 0 /kinetics/geometry blue black -6 1 0 +simundump kpool /kinetics/Prd 0 0.0 0 0 0 0.0 0 0 100.369025 0 /kinetics/geometry 60 black 4 0 0 +simundump kreac /kinetics/kreac 0 0.1 0.1 "" 45 black -1 4 0 +simundump xgraph /graphs/conc1 0 0 99 0.001 0.999 0 +simundump xgraph /graphs/conc2 0 0 100 0 1 0 + simundump xplot /graphs/conc1/Sub.Co 3 524288 \ +"delete_plot.w <s> <d>; edit_plot.D <w>" black 0 0 1 +simundump xplot /graphs/conc1/Prd.Co 3 524288 \ +"delete_plot.w <s> <d>; edit_plot.D <w>" black 0 0 1 +simundump xgraph /moregraphs/conc3 0 0 100 0 1 0 +simundump xgraph /moregraphs/conc4 0 0 100 0 1 0 + simundump xcoredraw /edit/draw 0 -6 4 -2 6 +simundump xtree /edit/draw/tree 0 \ + /kinetics/#[],/kinetics/#[]/#[],/kinetics/#[]/#[]/#[][TYPE!=proto],/kinetics/#[]/#[]/#[][TYPE!=linkinfo]/##[] "edit_elm.D <v>; drag_from_edit.w <d> <S> <x> <y> <z>" auto 0.6 +simundump xtext /file/notes 0 1 +addmsg /kinetics/Sub /kinetics/kreac SUBSTRATE n +addmsg /kinetics/kreac /kinetics/Sub REAC A B +addmsg /kinetics/Prd /kinetics/kreac PRODUCT n +addmsg /kinetics/kreac /kinetics/Prd REAC B A +addmsg /kinetics/Sub /graphs/conc1/Sub.Co PLOT Co *Sub *blue +addmsg /kinetics/Prd /graphs/conc1/Prd.Co PLOT Co *Prd *60 + +enddump + // End of dump +complete_loading diff --git a/snippets/threading_demo.dat b/snippets/threading_demo.dat index 1586270b063a4c62fe8c60c49c04045a6d30d226..41b6f5566167995c0c119b5abf65fad0a89cade9 100644 --- a/snippets/threading_demo.dat +++ b/snippets/threading_demo.dat @@ -10002,3 +10002,60027 @@ 0 0 +/newplot +/plotname pulsegen_output +0 +0 +0 +0 +0 +0 +0 +0 +0 +0 +0 +10 +10 +10 +10 +10 +0 +0 +0 +0 +0 +0 +0 +0 +0 +0 +10 +10 +10 +10 +10 +0 +0 +0 +0 +0 +0 +0 +0 +0 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+0 +0 +0 +0 +0 +10 +10 +10 +10 +10 +0 +0 +0 +0 +0 +0 +0 +0 +0 +0 + diff --git a/snippets/vclamp.py~ b/snippets/vclamp.py~ deleted file mode 100644 index 3ebd20cef9413d85cb69f73ea9f69988ad74f90d..0000000000000000000000000000000000000000 --- a/snippets/vclamp.py~ +++ /dev/null @@ -1,137 +0,0 @@ -# vclamp.py --- -# -# Filename: vclamp.py -# Description: -# Author:Subhasis Ray -# Maintainer: -# Created: Sat Feb 2 19:16:54 2013 (+0530) -# Version: -# Last-Updated: Tue Jun 11 17:35:20 2013 (+0530) -# By: subha -# Update #: 178 -# URL: -# Keywords: -# Compatibility: -# -# - -# Commentary: -# -# -# -# - -# Change log: -# -# -# -# -# This program is free software; you can redistribute it and/or -# modify it under the terms of the GNU General Public License as -# published by the Free Software Foundation; either version 3, or -# (at your option) any later version. -# -# This program is distributed in the hope that it will be useful, -# but WITHOUT ANY WARRANTY; without even the implied warranty of -# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU -# General Public License for more details. -# -# You should have received a copy of the GNU General Public License -# along with this program; see the file COPYING. If not, write to -# the Free Software Foundation, Inc., 51 Franklin Street, Fifth -# Floor, Boston, MA 02110-1301, USA. -# -# - -# Code: - -import sys -sys.path.append('../../python') -import moose -sys.path.append('../squid') -from squid import SquidAxon -from pylab import * - -def vclamp_demo(simtime=50.0, dt=1e-2): - ## It is good practice to modularize test elements inside a - ## container - container = moose.Neutral('/vClampDemo') - ## Create a compartment with properties of a squid giant axon - comp = SquidAxon('/vClampDemo/axon') - # Create and setup the voltage clamp object - clamp = moose.VClamp('/vClampDemo/vclamp') - ## The defaults should work fine - # clamp.mode = 2 - # clamp.tau = 10*dt - # clamp.ti = dt - # clamp.td = 0 - # clamp.gain = comp.Cm / dt - ## Setup command voltage time course - command = moose.PulseGen('/vClampDemo/command') - command.delay[0] = 10.0 - command.width[0] = 20.0 - command.level[0] = 50.0 - command.delay[1] = 1e9 - moose.connect(command, 'output', clamp, 'commandIn') - ## Connect the Voltage Clamp to the compartemnt - moose.connect(clamp, 'currentOut', comp, 'injectMsg') - moose.connect(comp, 'VmOut', clamp, 'sensedIn') - ## setup stimulus recroding - this is the command pulse - stimtab = moose.Table('/vClampDemo/vclamp_command') - moose.connect(stimtab, 'requestOut', command, 'getOutputValue') - ## Set up Vm recording - vmtab = moose.Table('/vClampDemo/vclamp_Vm') - moose.connect(vmtab, 'requestOut', comp, 'getVm') - ## setup command potential recording - this is the filtered input - ## to PID controller - commandtab = moose.Table('/vClampDemo/vclamp_filteredcommand') - moose.connect(commandtab, 'requestOut', clamp, 'getCommand') - ## setup current recording - Imtab = moose.Table('/vClampDemo/vclamp_inject') - moose.connect(Imtab, 'requestOut', clamp, 'getCurrent') - # Scheduling - moose.setClock(0, dt) - moose.setClock(1, dt) - moose.setClock(2, dt) - moose.setClock(3, dt) - moose.useClock(0, '%s/##[TYPE=Compartment]' % (container.path), 'init') - moose.useClock(0, '%s/##[TYPE=PulseGen]' % (container.path), 'process') - moose.useClock(1, '%s/##[TYPE=Compartment]' % (container.path), 'process') - moose.useClock(2, '%s/##[TYPE=HHChannel]' % (container.path), 'process') - moose.useClock(2, '%s/##[TYPE=VClamp]' % (container.path), 'process') - moose.useClock(3, '%s/##[TYPE=Table]' % (container.path), 'process') - moose.reinit() - print(('RC filter in VClamp:: tau:', clamp.tau)) - print(('PID controller in VClamp:: ti:', clamp.ti, 'td:', clamp.td, 'gain:', clamp.gain)) - moose.start(simtime) - print(('Finished simulation for %g seconds' % (simtime))) - tseries = linspace(0, simtime, len(vmtab.vector)) - subplot(211) - title('Membrane potential and clamp voltage') - plot(tseries, vmtab.vector, 'g-', label='Vm (mV)') - plot(tseries, commandtab.vector, 'b-', label='Filtered command (mV)') - plot(tseries, stimtab.vector, 'r-', label='Command (mV)') - xlabel('Time (ms)') - ylabel('Voltage (mV)') - legend() - # print len(commandtab.vector) - subplot(212) - title('Current through clamp circuit') - # plot(tseries, stimtab.vector, label='stimulus (uA)') - plot(tseries, Imtab.vector, label='injected current (uA)') - xlabel('Time (ms)') - ylabel('Current (uA)') - legend() - show() - -def main(): - """ - This snippet is to demonstrate modelling of voltage clamping. - """ - vclamp_demo() - -if __name__ == '__main__': - main() - -# -# vclamp.py ends here diff --git a/tutorials/ChemicalOscillators/TuringOneDim.py b/tutorials/ChemicalOscillators/TuringOneDim.py index 4a202a639b7559e62af661627c3bbb1b3c46487f..e755d257a3f471c7078811636f1e5b8013629a1f 100644 --- a/tutorials/ChemicalOscillators/TuringOneDim.py +++ b/tutorials/ChemicalOscillators/TuringOneDim.py @@ -160,7 +160,7 @@ def main(): fig.canvas.draw() print( "Hit 'enter' to exit" ) - eval(input()) + raw_input( )