From 36cf7219972d8dbe694ba18ec52d7387a0c42a4c Mon Sep 17 00:00:00 2001
From: Peter Schubert <Peter.Schubert@hhu.de>
Date: Sat, 28 Jan 2023 16:07:22 +0100
Subject: [PATCH] value info in targets sheet corrected
---
rbaxdf/model/rba_macromolecules.py | 12 ++++++++++--
rbaxdf/model/rba_model.py | 3 +++
2 files changed, 13 insertions(+), 2 deletions(-)
diff --git a/rbaxdf/model/rba_macromolecules.py b/rbaxdf/model/rba_macromolecules.py
index b5f9f09..4beb103 100644
--- a/rbaxdf/model/rba_macromolecules.py
+++ b/rbaxdf/model/rba_macromolecules.py
@@ -53,9 +53,17 @@ class RbaMacromolecules:
tree.write(file_name)
def to_df(self):
- df_comp = pd.DataFrame([item.to_dict() for item in self.components.values()])
+
+ if len(self.components) > 0:
+ df_comp = pd.DataFrame([item.to_dict() for item in self.components.values()])
+ else:
+ df_comp = pd.DataFrame(columns=['component', 'name', 'type', 'weight'])
df_comp.set_index('component', inplace=True)
- df_mm = pd.DataFrame([item.to_dict() for item in self.macromolecules.values()])
+
+ if len(self.macromolecules) > 0:
+ df_mm = pd.DataFrame([item.to_dict() for item in self.macromolecules.values()])
+ else:
+ df_mm = pd.DataFrame(columns=['id', 'compartment'])
df_mm.set_index('id', inplace=True)
cols = ['compartment'] + df_comp.index.to_list()
df = pd.concat((df_comp.T, df_mm)).reindex(columns=cols)
diff --git a/rbaxdf/model/rba_model.py b/rbaxdf/model/rba_model.py
index 67430dc..593401c 100644
--- a/rbaxdf/model/rba_model.py
+++ b/rbaxdf/model/rba_model.py
@@ -81,9 +81,12 @@ class RbaModel:
for idx, row in m_dict['densities'].iterrows():
first_value = row['targetValue'].split('=')[1]
m_dict['densities'].at[idx, 'value_info'] = self.parameters.get_value_info(first_value)
+ # we temporarily create a unique index for table update
+ m_dict['targets'].reset_index(inplace=True)
for idx, row in m_dict['targets'].iterrows():
first_value = row['targetValue'].split('=')[1]
m_dict['targets'].at[idx, 'value_info'] = self.parameters.get_value_info(first_value)
+ m_dict['targets'].set_index('targetGroup', inplace=True)
with pd.ExcelWriter(xlsx_name) as writer:
for name, df in m_dict.items():
--
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