Code quality #154
Code quality #154
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| rect = read_dictionary('scaling.csv') | ||
| rect = read_dictionary('scaling.csv') |
Check notice
Code scanning / CodeQL
Unused global variable Note
| del self.hetmols[k] | ||
| try: # RM 2023/04/22: I don't think this is necessary as stripAtoms takes care of deleting the hetmol | ||
| del self.hetmols[k] | ||
| except KeyError: |
Check notice
Code scanning / CodeQL
Empty except Note
| smicat_zero = temp_ligand['coord_atoms_zero_index'].copy() | ||
| if 'frag_func_smiles' in list(ligand.keys()): | ||
| smiles = temp_ligand['frag_func_smiles'] | ||
| original = temp_ligand['frag_func_smiles'] |
Check warning
Code scanning / CodeQL
Variable defined multiple times Warning
| original = temp_ligand['frag_func_smiles'] | ||
| else: | ||
| smiles = temp_ligand['macrocycle_smiles'] | ||
| original = temp_ligand['macrocycle_smiles'] |
Check warning
Code scanning / CodeQL
Variable defined multiple times Warning
Codecov ReportPatch coverage:
Additional details and impacted files@@ Coverage Diff @@
## master #154 +/- ##
==========================================
+ Coverage 25.66% 25.75% +0.08%
==========================================
Files 102 102
Lines 33600 33652 +52
==========================================
+ Hits 8624 8667 +43
- Misses 24976 24985 +9
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