mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-03 21:44:30 +08:00
@@ -41,7 +41,7 @@
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#include <ForceField/UFF/AngleBend.h>
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#include <ForceField/UFF/BondStretch.h>
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#include <ForceField/UFF/Contribs.h>
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#include <ForceField/UFF/DistanceConstraint.h>
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#include <ForceField/DistanceConstraint.h>
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#include <ForceField/UFF/Nonbonded.h>
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#include <ForceField/UFF/TorsionAngle.h>
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#include <ForceField/UFF/Inversion.h>
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@@ -59,7 +59,7 @@
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%include <ForceField/UFF/Params.h>
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%include <ForceField/UFF/AngleBend.h>
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%include <ForceField/UFF/BondStretch.h>
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%include <ForceField/UFF/DistanceConstraint.h>
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%include <ForceField/DistanceConstraint.h>
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%include <ForceField/UFF/Nonbonded.h>
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%include <ForceField/UFF/TorsionAngle.h>
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%include <ForceField/UFF/Inversion.h>
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@@ -181,7 +181,7 @@ typedef unsigned long long int uintmax_t;
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%shared_ptr(ForceFields::ForceFieldContrib);
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%shared_ptr(ForceFields::UFF::AngleBendContrib);
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%shared_ptr(ForceFields::UFF::BondStretchContrib);
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%shared_ptr(ForceFields::UFF::DistanceConstraintContrib);
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%shared_ptr(ForceFields::DistanceConstraintContrib);
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%shared_ptr(ForceFields::UFF::vdWContrib);
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%shared_ptr(ForceFields::UFF::TorsionAngleContrib);
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%shared_ptr(ForceFields::UFF::InversionContrib);
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@@ -125,7 +125,7 @@ typedef unsigned long long int uintmax_t;
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%shared_ptr(ForceFields::ForceFieldContrib);
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%shared_ptr(ForceFields::UFF::AngleBendContrib);
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%shared_ptr(ForceFields::UFF::BondStretchContrib);
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%shared_ptr(ForceFields::UFF::DistanceConstraintContrib);
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%shared_ptr(ForceFields::DistanceConstraintContrib);
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%shared_ptr(ForceFields::UFF::vdWContrib);
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%shared_ptr(ForceFields::UFF::TorsionAngleContrib);
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%shared_ptr(ForceFields::UFF::InversionContrib);
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