diff options
Diffstat (limited to 'ComponentSelector.py')
| -rw-r--r-- | ComponentSelector.py | 4 |
1 files changed, 2 insertions, 2 deletions
diff --git a/ComponentSelector.py b/ComponentSelector.py index c5ba6f5..79edef4 100644 --- a/ComponentSelector.py +++ b/ComponentSelector.py @@ -111,8 +111,8 @@ class ComponentSelector(QDialog,ui_dialog): self.CAS=self.obj.get_value(self.comp,'CAS') self.name=self.comp - self.molecular_formula=self.obj.get_value(self.comp,'Smiles') - self.molecular_weight=self.obj.get_value(self.comp,'MolecularWeight') + self.molecular_formula=self.obj.get_value(self.comp, 'StructureFormula') + self.molecular_weight=self.obj.get_value(self.comp, 'MolecularWeight') dict={'CAS':self.CAS,'Name':self.name,'Molecular Formula':self.molecular_formula,'Molecular Weight':self.molecular_weight} #converted everything to a dictionary which will be passes to addtable |