* Qt drawing works with freetype.
needs polish and testing
non-freetype drawing doesn't work still
* make the Qt rendering anti-aliased
* non-freetype fonts work in Qt
With the giant caveat that you need a QGuiApplication to use fonts. We try to detect that
* cleanup
* changes in response to review
* add qt support to CI builds
* fix VS build problem
* try resolving a linux link error
* Update linux_build.yml
* Update linux_build.yml
* another attempt to get the linux CI builds working
* getting closer?
* Update linux_build.yml
* disable the qt CI builds on windows
* backup
* further progress
* backup
* refactor handling of atom/bond annotations
move to a single annotation list to make it easier to add new annotation
types
* backup, doesn't actually work
* not unhappy with how the bracket rendering now works
still need to do bracket annotations
* backup
* commit first pass at brackets annotations
* add a bit more flexibility to how we handle annotations
Stll needs to be elaborated a bit, but the tests currently pass
* cleanup
* support comic mode with brackets
moves the handdrawnLine code to MolDraw2D_detail, which is a better place for it
* updates in response to review
* works
* auto download of comic-neue font
* support it in the python layer
* getting ready for a PR
* tone down the wobbly line effect a bit
* add end-point shifts
tone the wiggles down a bit
* - enable SubstructLibrary to build without threading support
- enforce consistency across single- and multi-threaded runs
- improve performance on single-threaded runs avoiding overhead of spawning threads
- consolidate internalCountMatches and internalGetMatches into one function to reduce code duplication
- fix a bug in Python CountMatches whjich would run on 1000 threads
* reverted Code/GraphMol/SubstructLibrary/Wrap/SubstructLibraryWrap.cpp as it is now in its own PR (#3558)
* - added missing cast
- removed unnecessary std::make_move_iterator
- added Brian's test
Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
* fix leak in testConformerParser
* fix leaks in testMultithreadedMolSupplier
* fix leak in catch_graphmol
* pass build type to YAEHMOP
* cleanup fragments in CoordGen minimizeOnly
* fix leaking ConjElectrons stack in res mol supplier
* avoid double delete
* do not delete 'this'; clean ce not added to map
* delete mol if Multithreaded SD readMolProps throws
* fix typo
* fix typo in comment
* - Fixes three bugs in the R-group decomposition code
* - delete iterator properly during loop so the Mac does not complain
* added more tests
Co-authored-by: user173873 <user173873@FF026.local>
* backup, definitely does not work
* remove obsolete test
(not even really sure anymore that's a bug)
* remove code from a false path
* at this point the code passes all tests
* backup
* handle isotopes and h counts properly
* remove some compiler warnings
* all tests passing
* Use InChI minimimum ring size for bonds
* Fixes edge-case bug in canonicalization when bond labels are provided
* cleanup, no substance here
* fixes the last set of problems I've seen
* document that this is still experimental
* remove obsolete/testing comments
* stop considering charge and H count in chirality
* unescape spaces
* fix smiles in EnumerateStereoisomers.py
* raw docstring in Scoring.py
* raw strings for escaped parens in pdfgen.py, pidPDF.py, pdfutils.py, pidPS.py
* raw string in fmcs.py
* fix Inchi matchers
* Fix ROMol->RWMol static casts
* Fix accessing of end-iterator.
* Fix some test build issues I saw while compiling with Clang.
* Add build settings for sanitizers.
* Revert "Add build settings for sanitizers."
This reverts commit 5dc84374f0.
* Make MetalDisconnector more robust against metallorganics
* - fixed misbehavior with radicals
- added tests
- code cleanup
* - fixed MetalDisconnector with dative bonds
- removed pointless test
