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RDKit
Open-source cheminformatics and machine learning.
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#include <PlanarityContribs.h>
Public Member Functions | |
| PlanarityContribsParams (std::size_t idx1, std::size_t idx2, std::size_t idx3, std::size_t idx4, double forceConstant=1.0) | |
Public Attributes | |
| std::size_t | idx1 {0} |
| std::size_t | idx2 {0} |
| std::size_t | idx3 {0} |
| std::size_t | idx4 {0} |
| double | forceConstant {1.0} |
Definition at line 21 of file PlanarityContribs.h.
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inline |
Definition at line 27 of file PlanarityContribs.h.
References forceConstant, idx1, idx2, idx3, and idx4.
| double ForceFields::CrystalFF::PlanarityContribsParams::forceConstant {1.0} |
Definition at line 26 of file PlanarityContribs.h.
Referenced by PlanarityContribsParams().
| std::size_t ForceFields::CrystalFF::PlanarityContribsParams::idx1 {0} |
Definition at line 22 of file PlanarityContribs.h.
Referenced by PlanarityContribsParams().
| std::size_t ForceFields::CrystalFF::PlanarityContribsParams::idx2 {0} |
Definition at line 23 of file PlanarityContribs.h.
Referenced by PlanarityContribsParams().
| std::size_t ForceFields::CrystalFF::PlanarityContribsParams::idx3 {0} |
Definition at line 24 of file PlanarityContribs.h.
Referenced by PlanarityContribsParams().
| std::size_t ForceFields::CrystalFF::PlanarityContribsParams::idx4 {0} |
Definition at line 25 of file PlanarityContribs.h.
Referenced by PlanarityContribsParams().