IMP
2.2.0
The Integrative Modeling Platform
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Filter atom pairs for SOAP. More...
#include <IMP/atom/SoapPairFilter.h>
Public Member Functions | |
SoapPairFilter (std::string library) | |
virtual kernel::ModelObjectsTemp | do_get_inputs (kernel::Model *m, const kernel::ParticleIndexes &pis) const |
virtual std::string | get_type_name () const |
int | get_value (const kernel::ParticlePair &a) const |
Ints | get_value (const kernel::ParticlePairsTemp &o) const |
virtual int | get_value_index (kernel::Model *m, const kernel::ParticleIndexPair &p) const |
Compute the predicate and the derivative if needed. | |
Ints | get_value_index (kernel::Model *m, const kernel::ParticleIndexPairs &o) const |
virtual ::IMP::base::VersionInfo | get_version_info () const |
Get information about the module and version of the object. | |
Public Member Functions inherited from IMP::kernel::PairPredicate | |
PairPredicate (std::string name="PairPredicate %1%") | |
int | operator() (kernel::Model *m, const kernel::ParticleIndexPair &vt) const |
Enable them to be use as functors. More... | |
Public Member Functions inherited from IMP::kernel::ParticleInputs | |
virtual ContainersTemp | get_input_containers (Particle *p) const |
virtual ParticlesTemp | get_input_particles (Particle *p) const |
ModelObjectsTemp | get_inputs (kernel::Model *m, const ParticleIndexes &pis) const |
Public Member Functions inherited from IMP::base::Object | |
virtual void | clear_caches () |
virtual void | do_destroy () |
CheckLevel | get_check_level () const |
LogLevel | get_log_level () const |
void | set_check_level (CheckLevel l) |
void | set_log_level (LogLevel l) |
Set the logging level used in this object. More... | |
void | set_was_used (bool tf) const |
void | show (std::ostream &out=std::cout) const |
const std::string & | get_name () const |
void | set_name (std::string name) |
Additional Inherited Members | |
Public Types inherited from IMP::kernel::PairPredicate | |
typedef kernel::ParticlePair | Argument |
typedef kernel::ParticleIndexPair | IndexArgument |
Protected Member Functions inherited from IMP::base::Object | |
Object (std::string name) | |
Construct an object with the given name. More... | |
Most SOAP potentials are trained using only a subset of particle pairs (e.g. only pairs where the atoms are in different chains). This filter can be used to exclude atom pairs not in that subset.
Definition at line 26 of file SoapPairFilter.h.
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Overload this method to specify the inputs.
Reimplemented from IMP::kernel::ParticleInputs.
Definition at line 54 of file SoapPairFilter.h.
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virtual |
Reimplemented from IMP::kernel::PairPredicate.
Definition at line 76 of file SoapPairFilter.h.
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virtual |
Reimplemented from IMP::kernel::PairPredicate.
Definition at line 76 of file SoapPairFilter.h.