Brian Kelley 58c21baeba ChemDraw Document and read/write support for the RDKit (#8620) ...

* ChemDraw Document and read/write support for the RDKit

* Add missing test file

* Rev chemdraw version

* Rev chemdraw version

* Rev chemdraw version for g++11

* Update CMakeLists.txt

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

* Build chemdraw from an external CMake file

* Remove unused platform bigendian check

* Revert changes to constants, remove unused ones

* Keep the original constant names

* Remove __main__ section

* Use as much of the ChemDraw CMakeList as possible

* Skip installing expat

* Rev chemdraw version to fix windows issue

* Don't install expat, set the appropriate CHEMDRAW_BUILD definition

* resolve windows builds

* Fix minimal lib builds

* Move ChemDraw document to private header

* Move utility functions to ChemDraw namespace

* Move ChemDraw to v2 unique ptr api namespace

* Make class enum

* Switch to camelCase

* Response to review

* Move ChemDrawToDocument to ChemDraw namespace

* Update External/ChemDraw/Wrap/rdChemDraw.cpp

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

* Fix typo

* Update External/ChemDraw/Wrap/rdChemDraw.cpp

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

* Add better documentation

* Rev chemdraw version

---------

Co-authored-by: Brian Kelley <bkelley@glysade.com>
Co-authored-by: Greg Landrum <greg.landrum@gmail.com>

2025-07-04 06:36:10 +02:00

32 KiB

Raw Blame History

View Raw