PatrickPenner
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aaa06faa0f
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Custom decimal precision (#7229)
* MolToMolBlock V3000 double precision coordinates
- Added MolWriteParams
- Added python interfaces with MolWriteParams
- Added double precision test
* Added params interface for file writing functions
* First comments
- read precision from stream and reset
- MolWriteParams renamed to MolWriterParams
* MolToMrv and MolToXYZ precision interface extension
- extend the mol to marvin and mol to XYZ functions with coordinate precision
- propogate to python interface
- harmonized documentation occasionally
* Implement review
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2024-03-17 06:03:03 +01:00 |
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