From f9e9990f4248b37436a41b91dc3beeb56191f5fc Mon Sep 17 00:00:00 2001
From: Rui Ribeiro <rui.ribeiro@icloud.com>
Date: Wed, 9 Nov 2022 13:47:34 +0100
Subject: [PATCH] release
---
src/lib/ssbtoolkit.py | 6 ++++--
1 file changed, 4 insertions(+), 2 deletions(-)
diff --git a/src/lib/ssbtoolkit.py b/src/lib/ssbtoolkit.py
index d2110ab..c127736 100644
--- a/src/lib/ssbtoolkit.py
+++ b/src/lib/ssbtoolkit.py
@@ -647,6 +647,9 @@ class simulation:
self._PathwayParameters = newparameters.set_index('Parameter').iloc[:,0].to_dict()
except:
self._PathwayParameters = self._DefaultPathwayParametersDataFrame.set_index('Parameter').iloc[:,0].to_dict()
+
+ elif self._DefaultPathwayParametersDataFrame.empty and self._binding_kinetic_parameters is not None:
+ self._DefaultPathwayParametersDataFrame = pd.read_csv('src/lib/pathways/{}_parameters.csv'.format(self._pathway))
elif self._DefaultPathwayParametersDataFrame.empty is False and self._binding_kinetic_parameters is not None:
try:
@@ -670,8 +673,7 @@ class simulation:
utils.printProgressBar(0, len(self._lig_conc_range), prefix = "{:<15}".format(ligand_name[:15]), suffix = 'Complete', length = 50)
###DANGER ZONE###
- if self._DefaultPathwayParametersDataFrame.empty and self._binding_kinetic_parameters is not None:
- self._DefaultPathwayParametersDataFrame = pd.read_csv('src/lib/pathways/{}_parameters.csv'.format(self._pathway))
+ if self._binding_kinetic_parameters is not None:
self._PathwayParameters = {**self._DefaultPathwayParametersDataFrame.set_index('Parameter').iloc[:,0].to_dict(), **self._binding_kinetic_parameters[self._ligands.index(ligand)]}
######################
--
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