Open tblaschke opened 3 years ago
Hi,
it seems that SMILES Drawer has some issues with some repetitive molecules. The following SMILES contains 12 benzenes, however SMILES drawer draws only 11 and adds a wrong bond between two benzenes.
c1ccc(-c2cccc(-c3cc(-c4cc(-c5ccccc5)c(-c5cc(-c6ccccc6)ccc5-c5ccccc5)cc4-c4ccccc4)c(-c4ccccc4-c4ccccc4)cc3-c3ccccc3)c2)cc1
The image that SMILES drawer is generating:
Here is an image from CDK depict. It renders it correctly:
Hi,
it seems that SMILES Drawer has some issues with some repetitive molecules. The following SMILES contains 12 benzenes, however SMILES drawer draws only 11 and adds a wrong bond between two benzenes.
c1ccc(-c2cccc(-c3cc(-c4cc(-c5ccccc5)c(-c5cc(-c6ccccc6)ccc5-c5ccccc5)cc4-c4ccccc4)c(-c4ccccc4-c4ccccc4)cc3-c3ccccc3)c2)cc1The image that SMILES drawer is generating:
Here is an image from CDK depict. It renders it correctly: