Commit 1fce31a4 authored by Lukas Pravda's avatar Lukas Pravda
Browse files

make sure bond is written in annotation file only once

parent 78248a8a
...@@ -161,7 +161,7 @@ def convert_svg(svg_string, ccd_id, mol: rdkit.Chem.Mol): ...@@ -161,7 +161,7 @@ def convert_svg(svg_string, ccd_id, mol: rdkit.Chem.Mol):
kd_tree = KDTree(atom_centers) kd_tree = KDTree(atom_centers)
for bond_svg in bond_elem: for bond_svg in bond_elem:
if 'class' not in bond_svg.attrib: if 'class' not in bond_svg.attrib or 'bond-selector' in bond_svg.attrib['class']:
continue continue
bond_id_str = re.search(r'\d+', bond_svg.attrib['class']).group(0) bond_id_str = re.search(r'\d+', bond_svg.attrib['class']).group(0)
......
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