IMP::atom::ProteinLigandAtomPairScore Class Reference
Detailed Description
add_protein_ligand_score_data() must be called on the molecules containing the atoms before the
PairScore is used in order to properly initialize the particles.
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Public Member Functions |
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ContainersTemp | get_input_containers (const ParticlePair &p) const |
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ParticlesTemp | get_input_particles (const ParticlePair &p) const |
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ParticlesList | get_interacting_particles (const ParticlePair &p) const |
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bool | get_is_changed (const ParticlePair &p) const |
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| IMP_PAIR_SCORE_BASE (ProteinLigandAtomPairScore) |
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| ProteinLigandAtomPairScore (double threshold=std::numeric_limits< double >::max()) |
The documentation for this class was generated from the following files:
