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mmff into SWIG wrapper. first tests

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note: these changes remove some direct ff-manipulation functionality that was
present previously
This commit is contained in:
Greg Landrum
2013-10-12 16:24:18 +02:00
parent 64d389c517
commit 40908a43da
5 changed files with 93 additions and 96 deletions
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1
Code/JavaWrappers/csharp_wrapper/GraphMolCSharp.i
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@@ -153,6 +153,7 @@ typedef unsigned long long int uintmax_t;
%shared_ptr(ForceFields::UFF::DistanceConstraintContrib);
%shared_ptr(ForceFields::UFF::vdWContrib);
%shared_ptr(ForceFields::UFF::TorsionAngleContrib);
%shared_ptr(ForceFields::UFF::InversionContrib);
/* Some utility classes for passing arrays in and out */
%array_class(double, Double_Array);