Migrate std::string APIs to const std::string & #627
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At least it will take away one bullet point from Roger's slides for the UGM next year. |
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It looks like windows build needs to update the library path, where does the build recipe live? LINK : fatal error LNK1104: cannot open file 'libboost_serialization-vc120-mt-1_56.lib' |
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It's ok to ignore failures for the appveyor builds. Those are troubled anyway due to the runtime constraints on free appveyor builds |
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| void iterateCIPRanks(const ROMol &mol, DOUBLE_VECT &invars, UINT_VECT &ranks,bool seedWithInvars){ | |||
| void iterateCIPRanks(const ROMol &mol, DOUBLE_VECT &invars, | |||
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Though the changes in this function seem to make sense after a brief review, I don't think they are connected to the const std::string fix that's the actual purpose of the PR.
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I'll remove this, this is part of another optimization roll up I should have removed from this commit.
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The original appveyor build passed if that helps: |
Migrate std::string APIs to const std::string &
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Yeah, sorry, this one got lost. |
In rdkit#627, `readAmberTrajectory` in ConformerParser.h is updated to use `const std::string &`. This updates the corresponding method in ConformerParser.cpp to match. I needed to do this to compile RDKit with contrib.
Large ABI breaking migration of std::string API points to const std::string.
This removes a lot of string copies ( in the case of smiles/smarts it removes at least two ).
Special care should be taken to reviewing the smiles/smarts parsers, especially with FLEX/BISON on/off
-DRDK_USE_FLEXBISON=ON
there are a lot of moving parts.