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Adds KeyFromPropHolder to hold user defined indices (#4571)

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* Adds KeyFromPropHolder to hold user defined indices

* Add missing file

* I hate swig.  Had to move keyholder classes into main header file, yuck.
But I added tests, so yay?

* Remove removed dependency

* Fix borked test

* Make consistent getKeys function, fix constness

* Fix overloaded call

* Remove GetKey/s from SubstructLibrary
This commit is contained in:
Brian Kelley
2021-10-02 02:17:50 -04:00
committed by GitHub
parent 85608555fe
commit 6a16d64169
7 changed files with 405 additions and 87 deletions
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2
Code/JavaWrappers/SubstructLibrary.i
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@@ -46,6 +46,8 @@
%shared_ptr(RDKit::FPHolderBase)
%shared_ptr(RDKit::PatternHolder)
%shared_ptr(RDKit::TautomerPatternHolder)
%shared_ptr(RDKit::KeyHolderBase)
%shared_ptr(RDKit::KeyFromPropHolder)
%template(UChar_Vect) std::vector<unsigned char>;