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rdkit/External/ChemDraw/test_data/geometry-tetrahedral-4.cdxml
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

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BS="N"
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id="3944"
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BS="N"
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id="3948"
Z="146"
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E="3882"
BS="N"
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id="3949"
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LabelSize="9"
MarginWidth="0.48"
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BS="N"
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id="3950"
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LabelSize="9"
MarginWidth="0.48"
B="3898"
E="3909"
BS="N"
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id="3951"
Z="149"
ShowPerspective="yes"
IgnoreWarnings="yes"
LabelSize="9"
MarginWidth="0.48"
B="3891"
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BS="N"
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BS="N"
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id="3953"
Z="154"
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E="3912"
BS="N"
CrossingBonds="3941"
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id="3954"
Z="156"
ShowPerspective="yes"
IgnoreWarnings="yes"
LabelSize="9"
MarginWidth="0.48"
B="3902"
E="3913"
BS="N"
CrossingBonds="3941"
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id="3955"
Z="158"
ShowPerspective="yes"
IgnoreWarnings="yes"
LabelSize="9"
MarginWidth="0.48"
B="3896"
E="3914"
BS="N"
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id="3956"
Z="160"
ShowPerspective="yes"
IgnoreWarnings="yes"
LabelSize="9"
MarginWidth="0.48"
B="3896"
E="3915"
BS="N"
/></fragment></group><annotation
Keyword="Name"
Content="azidomethane"
/></page></CDXML>
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