The attached patches make it possible to have the SMILESWriter create SMILES with the useAromaticity flag set.
Aimed at master.
0001 adds the missing unit test class for the SMILESWriter. 0002 adds the new feature + matching unit test.
Patch looks good, but the second path fails to apply:
guhar@Rajarshi-Guha-MacBook-Pro:~/src/cdk [smi]$ git am -s ~/Downloads/0002-Added-IO-option-to-allow-saving-aromatic-SMILES.patch Applying: Added IO option to allow saving aromatic SMILES error: patch failed: src/main/org/openscience/cdk/io/SMILESWriter.java:44 error: src/main/org/openscience/cdk/io/SMILESWriter.java: patch does not apply Patch failed at 0001 Added IO option to allow saving aromatic SMILES
This is on a branch derived from master
New patch for missing unit test.
New patch for IO option for writing aromatic SMILES.
New patches against current master are now attached.
Patch looks good, applied to master and pushed
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Patch looks good, but the second path fails to apply:
guhar@Rajarshi-Guha-MacBook-Pro:~/src/cdk [smi]$ git am -s ~/Downloads/0002-Added-IO-option-to-allow-saving-aromatic-SMILES.patch
Applying: Added IO option to allow saving aromatic SMILES
error: patch failed: src/main/org/openscience/cdk/io/SMILESWriter.java:44
error: src/main/org/openscience/cdk/io/SMILESWriter.java: patch does not apply
Patch failed at 0001 Added IO option to allow saving aromatic SMILES
This is on a branch derived from master
New patch for missing unit test.
New patch for IO option for writing aromatic SMILES.
New patches against current master are now attached.
Patch looks good, applied to master and pushed