7 Commits

Author SHA1 Message Date
Brian Kelley
b417465e93 Adds MolToCDXMLBlock to FileParsers (#9291)
* Adds MolToCDXMLBlock to FileParsers

* Simplified code, removed warning

* Fix C# wrapper for MolToCDX

* Add C# test, fix cscode in swig

* Fix typo in tests

* Set default format to CDXML for MolToCDXML

Co-authored-by: Greg Landrum <greg.landrum@gmail.com>

* Add CDXML writer smoke tests

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Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
2026-05-29 05:36:35 +02:00
Ricardo Rodriguez
7b7a8a4e17 Refactor iostreams includes (#8846)
* refactor iostreams includes

* restore ostream to MonomerInfo.cpp
2025-10-08 16:08:01 +02:00
Brian Kelley
cf269aa813 Expose CDX support to FileParsers and ChemDraw to SWIG (#8681)
* Fist pass at CDX support

* Enable CDX support for reading (also) in the CDXMLParser API

* Add cdxml test files

* Update swig wrappers for CDXMLFormat and Parameters

* Add constructor to ChemDrawParserParams

* Add Java SWIG support for ChemDraw

* Add chemdraw define to rdconfig

* Add missing chemdraw deps

* Remove direct expat link

* Fix Java linkages for ChemDraw

* Remove bad merge code

* Remove bad merge code

* Fix csharp builds

* Add sniffer for the ChemDraw DataStream

* Include filesystem

* Fix test on windows

* Add more CDX tests

* Ensure streams are open in binary mode to support CDX on windows

* Fix text to show that a Block is the text input, not a file

* Fix CSharp test

* Disable CDX tests when not building chemdraw

* Turn back on chemdraw

* Response to review

* Turn off chemdraw support for the limited external test

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Co-authored-by: Brian Kelley <bkelley@glysade.com>
2025-08-29 04:39:22 +02:00
Greg Landrum
da6cd73168 Run clang-format across everything (#7849)
* run clang-format-18 across Code/*.cpp and Code/*.h

* run clang-format-18 across External
2024-09-26 13:39:02 +02:00
Greg Landrum
e771242714 v2 API for the molecule CDXML parser (#7113) 2024-02-02 18:05:55 +01:00
Ric
58d135a874 Reformat C/C++ code ahead of 2023.03 release (#6295)
* format files

* format template files too
2023-04-28 04:42:35 +02:00
Brian Kelley
d1985caaa7 cdxml parser (#5273) 2022-09-28 05:49:27 +02:00