IMP
2.0.1
The Integrative Modeling Platform
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__init__.py
algebra/__init__.py
atom/__init__.py
base/__init__.py
benchmark/__init__.py
cgal/__init__.py
cnmultifit/__init__.py
container/__init__.py
core/__init__.py
display/__init__.py
domino/__init__.py
em/__init__.py
em2d/__init__.py
example/__init__.py
gsl/__init__.py
isd/__init__.py
kernel/__init__.py
kmeans/__init__.py
misc/__init__.py
modeller/__init__.py
multifit/__init__.py
parallel/__init__.py
pepdock/__init__.py
restrainer/__init__.py
rmf/__init__.py
rotamer/__init__.py
saxs/__init__.py
score_functor/__init__.py
scratch/__init__.py
statistics/__init__.py
system/__init__.py
test/__init__.py
_display.py
_graph_show.py
_histogram.py
_interaction_graph.py
_main.py
_optimization.py
_pivy.py
_randomize.py
_representation.py
_restraint.py
algebra/_version_check.py
atom/_version_check.py
base/_version_check.py
benchmark/_version_check.py
cgal/_version_check.py
cnmultifit/_version_check.py
container/_version_check.py
core/_version_check.py
display/_version_check.py
domino/_version_check.py
em/_version_check.py
em2d/_version_check.py
example/_version_check.py
gsl/_version_check.py
isd/_version_check.py
kernel/_version_check.py
kmeans/_version_check.py
misc/_version_check.py
modeller/_version_check.py
multifit/_version_check.py
parallel/_version_check.py
pepdock/_version_check.py
restrainer/_version_check.py
rmf/_version_check.py
rotamer/_version_check.py
saxs/_version_check.py
score_functor/_version_check.py
scratch/_version_check.py
statistics/_version_check.py
system/_version_check.py
test/_version_check.py
_xml_parser.py
AbstractGrid.py
add_fit_rmsd.py
AddScores.h
algebra.h
algebra_config.h
algebra_macros.h
align.py
align2D.h
AlignmentParams.h
AlignSymmetric.h
AllBipartitePairContainer.h
AllPairContainer.h
AmbiguousNOERestraint.h
AmbiguousRestraint.h
analysis.h
Analysis.py
analyze_convergence.py
anchor_graph.h
anchor_utilities.h
anchors.py
anchors_reader.h
angle_decorators.h
AngleRestraint.h
AngleSingletonScore.h
AngleTripletScore.h
argminmax.py
Array.h
assess_dope.py
Assignment.h
assignment_containers.h
assignment_tables.h
associations.h
atom/Atom.h
Atom.h
atom_config.h
atom_io.h
atom_links.h
atom_macros.h
atomicDomino.py
atomicDominoUtilities.py
AttributeSingletonScore.h
BallMover.h
base.h
base_config.h
base_macros.h
base_types.h
kernel/base_types.h
basic_display.py
basic_geometry.py
basic_optimization.py
basic_setup.py
benchmark.h
benchmark_config.h
benchmark_macros.h
BerendsenThermostatOptimizerState.h
BildWriter.h
bipartite_nonbonded_interactions.py
bivariate_functions.h
blame.h
bond_decorators.h
bond_graph.h
BondedPairFilter.h
BondEndpointsRefiner.h
BondPairContainer.h
BondSingletonScore.h
BoundingBox3DSingletonScore.h
BoundingBoxD.h
BoxSweepClosePairsFinder.h
bracket_macros.h
BranchAndBoundSampler.h
brownian_statistics.py
BrownianDynamics.h
build.py
buildxlinks.py
cache.h
CenteredMat.h
CentroidOfRefined.h
cg_pdb.py
cgal.h
cgal_config.h
Chain.h
chain.py
Charged.h
charmm_forcefield.py
charmm_forcefield_verbose.py
charmm_segment_topology.h
charmm_topology.h
CHARMMAtom.h
CHARMMParameters.h
CHARMMStereochemistryRestraint.h
check_macros.h
ChecksScoreState.h
ChildrenRefiner.h
chimera_models.py
ChimeraWriter.h
ChiScore.h
ChiScoreLog.h
close_pairs_finder_macros.h
CloseBipartitePairContainer.h
ClosedCubicSpline.h
ClosePairContainer.h
ClosePairsFinder.h
ClosePairsPairScore.h
cluster.py
cluster_coarse.py
clustering_macros.h
clustering_of_pdb_models.py
CMMWriter.h
cn_rmsd.h
cnmultifit.h
cnmultifit.py
cnmultifit_config.h
CnSymmAxisDetector.h
coarse_molecule.h
CoarseCC.h
CoarseCCatIntervals.h
CoarseConvolution.h
collision_cross_section.py
CollisionCrossSection.h
Color.h
Colored.h
CommonEndpointPairFilter.h
comparison_macros.h
compat_subprocess.py
compatibility.h
compiler_macros.h
ComplementarityRestraint.h
complex_assembly.h
complex_to_anchor_graph.py
compute_chi.cpp
Cone3D.h
Configuration.h
kernel/Configuration.h
ConfigurationSet.h
kernel/ConfigurationSet.h
core/ConjugateGradients.h
gsl/ConjugateGradients.h
ConnectingPairContainer.h
connectivity.py
connectivity_restraint.py
ConnectivityRestraint.h
connolly_surface.h
ConsecutivePairContainer.h
ConstantRestraint.h
algebra/constants.h
atom/constants.h
constants.h
kernel/constants.h
Constraint.h
kernel/Constraint.h
ConstVector.h
container.h
container_base.h
kernel/container_base.h
container_config.h
container_macros.h
kernel/container_macros.h
convert_spider_to_jpg.py
converters.h
Copy.h
core.h
core_config.h
core_macros.h
Cosine.h
CoulombPairScore.h
counting.h
cover_particles.py
CoverBond.h
CoverRefined.h
CreateLogContext.h
creating_restraints.h
csv_related.py
cube.py
custom_filter.py
custom_hierarchy.py
CustomXYZR.h
Cylinder3D.h
Database.py
DataObject.h
DataPointsAssignment.h
decay.py
DecayPairContainerOptimizerState.h
declare_Geometry.h
declare_Model.h
kernel/declare_Model.h
declare_Object.h
declare_PairContainer.h
kernel/declare_PairContainer.h
declare_Particle.h
kernel/declare_Particle.h
declare_QuadContainer.h
kernel/declare_QuadContainer.h
declare_Restraint.h
kernel/declare_Restraint.h
declare_RestraintSet.h
kernel/declare_RestraintSet.h
declare_ScoringFunction.h
kernel/declare_ScoringFunction.h
declare_SingletonContainer.h
kernel/declare_SingletonContainer.h
declare_TripletContainer.h
kernel/declare_TripletContainer.h
Decorator.h
kernel/Decorator.h
decorator_macros.h
kernel/decorator_macros.h
def.h
density_analysis.h
density_map_volumetrics.h
density_utilities.h
density_utils.h
DensityDataPoints.h
DensityFillingRestraint.h
DensityHeader.h
DensityMap.h
cnmultifit_tools/dependencies.py
em_tools/dependencies.py
EMageFit/dependencies.py
example_app/dependencies.py
foxs/dependencies.py
integrative_docking/dependencies.py
ligand_score/dependencies.py
multifit_tools/dependencies.py
pdb_tools/dependencies.py
rmf_tools/dependencies.py
saxs_merge/dependencies.py
saxs_tools/dependencies.py
dependency_graph.h
kernel/dependency_graph.h
dependency_graph.py
DependencyScoreState.h
deprecation.h
deprecation_macros.h
DerivativeAccumulator.h
kernel/DerivativeAccumulator.h
DerivativeCalculator.h
DerivativesFromRefined.h
DerivativesToRefined.h
DiameterRestraint.h
Diffusion.h
DihedralRestraint.h
dihedrals.h
DihedralSingletonScore.h
DiscreteSampler.h
display.h
display_config.h
display_log.py
display_macros.h
displaying_ensembles.py
distance.h
distance_pair_score_macros.h
core/DistancePairScore.h
score_functor/DistancePairScore.h
DistanceRestraint.h
DistanceToSingletonScore.h
DistributePairsScoreState.h
DistributeQuadsScoreState.h
DistributeSingletonsScoreState.h
DistributeTripletsScoreState.h
Distribution.h
dock_with_crosslinks.py
Domain.h
domino.h
domino_approach.py
domino_config.h
domino_filter_tables.h
domino_filters.h
domino_macros.h
domino_particle_states.h
DominoModel.py
DominoSampler.h
Dope.h
dope_and_excluded_volume.cpp
DopePairScore.h
doxygen.h
kernel/doxygen.h
doxygen_macros.h
DummyRestraint.h
DynamicListPairContainer.h
DynamicListQuadContainer.h
DynamicListSingletonContainer.h
DynamicListTripletContainer.h
eigen_analysis.h
element.h
Ellipsoid3D.h
em.h
em2d.h
em2d_config.h
Em2DRestraint.h
em_config.h
em_images_conversion.py
em_restraint.py
emagefit.py
emagefit_cluster.py
emagefit_dock.py
emagefit_score.py
em/embedding.h
statistics/embedding.h
embedding_macros.h
embeddings.h
EMReaderWriter.h
endian.h
ensemble_analysis.h
Entry.py
enums.h
envelope_penetration.h
EnvelopeFitRestraint.h
EnvelopePenetrationRestraint.h
EnvelopeScore.h
estimate_threshold_from_molecular_mass.py
estimates.h
EventPairsOptimizerState.h
EventQuadsOptimizerState.h
EventSingletonsOptimizerState.h
EventTripletsOptimizerState.h
example.h
example_config.h
ExampleComplexRestraint.h
ExampleConstraint.h
ExampleDecorator.h
ExamplePairScore.h
ExampleRefCounted.h
ExampleRestraint.h
ExampleSingletonModifier.h
ExampleSubsetFilterTable.h
ExampleTemplateClass.h
ExampleUnaryFunction.h
base/exception.h
exception.h
kernel/exception.h
excluded_volume.py
ExcludedVolumeRestraint.h
exp.h
fft_based_rigid_fitting.h
FFToperations.h
fifobased_loader.py
FIFOBasedGrid.py
base/file.h
file.h
kernel/file.h
filebased_loader.py
FileBasedGrid.py
filenames_manipulation.h
filter_close_pairs.py
FilterGeometry.h
Fine2DRegistrationRestraint.h
fit_fft.py
fit_restraint.py
FitParameters.h
FitRestraint.h
fitting_clustering.h
fitting_solutions_reader_writer.h
fitting_states.h
fitting_tools.h
fitting_utils.h
FittingSolutionRecord.h
FixedRefiner.h
flags.h
FloatIndex.h
kernel/FloatIndex.h
FNormal.h
force_fields.h
ForceFieldParameters.h
FormFactorTable.h
foxs.cpp
Fragment.h
frames.h
functor.h
kernel/functor.h
GaussianProcessInterpolation.h
GaussianProcessInterpolationRestraint.h
GaussianProcessInterpolationRestraintSparse.h
GaussianProcessInterpolationSparse.h
GaussianRestraint.h
generate_density_map_of_fixed_dimension.py
container/generic.h
core/generic.h
generic.h
kernel/generic.h
geometric_alignment.h
geometric_primitive_macros.h
GeometricHash.h
GeometricPrimitiveD.h
geometry.h
algebra/geometry.py
rmf/geometry.py
geometry_io.h
geometry_macros.h
GeometryProcessor.h
GeometrySet.h
graph.py
graph_macros.h
grid_embeddings.h
grid_indexes.h
grid_ranges.h
grid_space.py
grid_storages.h
grid_utility.h
GridClosePairsFinder.h
GridD.h
gsl.h
gsl_config.h
GSLOptimizer.h
core/Harmonic.h
score_functor/Harmonic.h
core/HarmonicLowerBound.h
score_functor/HarmonicLowerBound.h
core/HarmonicUpperBound.h
score_functor/HarmonicUpperBound.h
HarmonicWell.h
hash.h
hash_macros.h
header_converters.h
hierarchical_clustering.h
atom/Hierarchy.h
core/Hierarchy.h
hierarchy_tools.h
Histogram.h
HistogramD.h
History.py
hosts.py
HybridMonteCarlo.h
idock.py
Image.h
image_processing.h
ImageHeader.h
ImageReaderWriter.h
IMP.h
imp_example_app.cpp
imp_restraints_in_modeller.py
ImproperSingletonScore.h
InContainerPairFilter.h
InContainerQuadFilter.h
InContainerSingletonFilter.h
InContainerTripletFilter.h
incremental_mc.py
IncrementalScoringFunction.h
Index.h
indexes.py
input_output.h
kernel/input_output.h
input_output_macros.h
kernel/input_output_macros.h
InputAdaptor.h
interactive.h
interactive.py
interactive_with_containers.py
algebra/io.h
io.h
kernel/io.h
isd.h
isd_config.h
ISDRestraint.h
JeffreysRestraint.h
JPGImageReaderWriter.h
kernel.h
kernel_config.h
KernelParameters.h
kernel/Key.h
Key.h
kernel/key_macros.h
key_macros.h
kmeans/KMeans.h
KMeans.h
kmeans.py
kmeans_config.h
kmeans_example.py
LangevinThermostatOptimizerState.h
LeavesRefiner.h
LennardJones.h
LennardJonesPairScore.h
ligand_score.cpp
Linear.h
LinearFit.h
LinearLowerBound.h
link.py
link_macros.h
links.h
ListPairContainer.h
ListQuadContainer.h
ListSingletonContainer.h
ListTripletContainer.h
live_objects.h
load_modeller_model.py
load_protein_restrain_bonds.py
local_distance.py
local_fitting.py
base/log.h
kernel/log.h
log.h
log.py
log_macros.h
logfile.py
LogicalORRestraint.h
LognormalRestraint.h
LogOptimizerState.h
LogPairScore.h
LowestRefinedPairScore.h
kernel/macros.h
macros.h
MaintainScaleOrderConstraint.h
map.h
map2pca.py
MapDistanceTransform.h
MapReaderWriter.h
MarginalHBondRestraint.h
MarginalNOERestraint.h
marina_party.py
markers.py
masking.h
Mass.h
master_communicator.py
math.h
MCCGSampler.h
doc/examples/domino/merge_tree.py
lib/IMP/multifit/merge_tree.py
merge_tree_utils.h
Metric.h
metric_clustering.h
metric_macros.h
metrics.h
MinimumPairRestraint.h
MinimumPairScore.h
MinimumQuadRestraint.h
MinimumQuadScore.h
MinimumRestraint.h
MinimumSingletonRestraint.h
MinimumSingletonScore.h
MinimumTripletRestraint.h
MinimumTripletScore.h
misc.h
misc_config.h
kernel/Model.h
Model.h
model_interaction.h
model_statistics.h
modeller.h
modeller_config.h
modeller_restraints_in_imp.py
kernel/ModelObject.h
ModelObject.h
models.py
mol2.h
mol2pca.py
MolCnSymmAxisDetector.h
molecular_hierarchy.py
atom/MolecularDynamics.h
isd/MolecularDynamics.h
MolecularDynamicsMover.h
Molecule.h
monte_carlo_macros.h
MonteCarlo.h
MonteCarloMover.h
MonteCarloRelativeMoves.py
Mover.h
mover_macros.h
MoverBase.h
MoveStatisticsScoreState.h
MRCReaderWriter.h
ms_connectivity_restraint.py
MSConnectivityRestraint.h
multifit.h
multifit.py
multifit_config.h
MultipleBinormalRestraint.h
multiresolution.py
multiscale.py
MultivariateFNormalSufficient.h
MultivariateFNormalSufficientSparse.h
NearestNeighborsClosePairsFinder.h
NOERestraint.h
nonbonded_interactions.py
NonCopyable.h
NormalMover.h
Nuisance.h
NuisanceRangeModifier.h
nullptr.h
nullptr_macros.h
nup84.py
nup84_complex_in_bead_representation.py
base/Object.h
kernel/Object.h
Object.h
object_cast.h
object_macros.h
core/OpenCubicSpline.h
score_functor/OpenCubicSpline.h
opencv_interface.h
optimize_balls.py
optimize_em2d_with_montecarlo.py
kernel/Optimizer.h
Optimizer.h
kernel/optimizer_macros.h
optimizer_macros.h
kernel/optimizer_state_macros.h
optimizer_state_macros.h
kernel/OptimizerState.h
OptimizerState.h
optimizing.h
Order.h
OrderedDict.py
osPeptideDocker.py
kernel/pair_macros.h
pair_macros.h
pair_predicates.h
pair_restraint.py
PairConstraint.h
kernel/PairContainer.h
PairContainer.h
PairContainerSet.h
PairContainerStatistics.h
kernel/PairDerivativeModifier.h
PairDerivativeModifier.h
kernel/PairModifier.h
PairModifier.h
kernel/PairPredicate.h
PairPredicate.h
PairRestraint.h
PairsConstraint.h
kernel/PairScore.h
PairScore.h
PairsOptimizerState.h
PairsRestraint.h
ParabolicFit.h
parallel.h
parallel_config.h
cnmultifit/param.py
multifit/param.py
kernel/Particle.h
Particle.h
particle_geometry.h
kernel/particle_index.h
particle_index.h
particle_io.h
particle_states.h
kernel/ParticleTuple.h
ParticleTuple.h
partitional_clustering_macros.h
PartitionalClustering.h
PartitionalClusteringWithCenter.h
path_reader_writer.h
pca_based_rigid_fitting.h
PCAAligner.h
PCAFitRestraint.h
pdb.h
pdb.py
pdb2density.py
pdb_check.cpp
pdb_rmf.cpp
pepdock.h
pepdock_config.h
peptideDocker.py
periodic_optimizer_state_macros.h
PeriodicOptimizerState.h
piecewise_linear_distribution.h
Plane3D.h
point_clustering.h
base/Pointer.h
kernel/Pointer.h
Pointer.h
PolarResamplingParameters.h
PredicatePairsRestraint.h
PredicateQuadsRestraint.h
predicates.h
PredicateSingletonsRestraint.h
PredicateTripletsRestraint.h
primitive_geometries.h
Profile.h
profile.py
profile_fit.py
ProfileFitter.h
Profiler.h
project.h
ProjectionFinder.h
ProjectionMask.h
ProjectionParameters.h
protein_anchors_mapping_reader.h
protein_ligand_score.h
proteomics.py
proteomics_em_alignment_atomic.h
proteomics_reader.h
PymolWriter.h
PyroGrid.py
PyroHandlerLoader.py
PyroUtils.py
algebra/python_only.h
atom/python_only.h
core/python_only.h
display/python_only.h
kernel/python_only.h
python_only.h
statistics/python_only.h
kernel/quad_macros.h
quad_macros.h
quad_predicates.h
QuadConstraint.h
kernel/QuadContainer.h
QuadContainer.h
QuadContainerSet.h
QuadContainerStatistics.h
kernel/QuadDerivativeModifier.h
QuadDerivativeModifier.h
kernel/QuadModifier.h
QuadModifier.h
kernel/QuadPredicate.h
QuadPredicate.h
QuadraticClosePairsFinder.h
QuadRestraint.h
QuadsConstraint.h
kernel/QuadScore.h
QuadScore.h
QuadsOptimizerState.h
QuadsRestraint.h
QuasiNewton.h
multifit/RadiusOfGyrationRestraint.h
saxs/RadiusOfGyrationRestraint.h
RAII.h
raii_macros.h
base/random.h
kernel/random.h
random.h
randomize_rigid_body.py
randomizing.h
range_restriction.py
RecursivePartitionalClusteringEmbedding.h
RecursivePartitionalClusteringMetric.h
ref_counted_macros.h
base/RefCounted.h
kernel/RefCounted.h
RefCounted.h
reference.py
ReferenceFrame3D.h
refine_fft.py
RefinedPairsPairScore.h
kernel/Refiner.h
Refiner.h
kernel/refiner_macros.h
refiner_macros.h
Reflection3D.h
RegistrationResult.h
RelativePositionMover.h
RemoveRigidMotionOptimizerState.h
RemoveTranslationOptimizerState.h
Replica.py
RepulsiveDistancePairScore.h
resample_density.py
Residue.h
restrain_diameter.py
restrain_in_sphere.py
restrain_minimum_distance.py
restrainer.h
restrainer_config.h
kernel/Restraint.h
Restraint.h
saxs/Restraint.h
restraint_cache.py
restraint_geometry.h
restraint_io.h
kernel/restraint_macros.h
restraint_macros.h
restraints.py
kernel/RestraintSet.h
RestraintSet.h
RestraintsScoringFunction.h
rg.cpp
rigid_bodies.h
rigid_bodies.py
rigid_body_and_excluded_volume_restraint.py
rigid_body_excluded_volume.py
rigid_body_geometries.h
rigid_brownian_dynamics.py
rigid_collisions.py
rigid_fitting.h
RigidBodiesImageFitRestraint.h
RigidBodyDistancePairScore.h
RigidBodyMover.h
RigidClosePairsFinder.h
rmf.h
rmf_color.cpp
rmf_config.h
rmf_display.cpp
RMFWriter.h
rmsd.py
RMSDClustering.h
ro.py
rotamer.h
rotamer_config.h
rotamer_pdb.py
rotamer_pdb2.py
RotamerCalculator.h
RotamerLibrary.h
Rotation2D.h
Rotation3D.h
SameResiduePairFilter.h
SampledDensityMap.h
kernel/Sampler.h
Sampler.h
kernel/sampler_macros.h
sampler_macros.h
sampling.py
save_assignments.py
SaveOptimizerState.h
saxs.h
saxs_config.h
saxs_merge.py
saxs_restraint.py
Scale.h
kernel/scoped.h
scoped.h
Score.h
score.py
score_functor.h
score_functor_config.h
score_protein_with_ligand.py
kernel/score_state_macros.h
score_state_macros.h
kernel/ScoreAccumulator.h
ScoreAccumulator.h
scores2D.h
kernel/ScoreState.h
ScoreState.h
ScoreUnaryFunction.h
kernel/scoring_function_macros.h
scoring_function_macros.h
kernel/ScoringFunction.h
ScoringFunction.h
scratch.h
scratch_config.h
secondary_structure_reader.h
SecondaryStructureResidue.h
Segment3D.h
Selection.h
SerialMover.h
serialPeptideDocker.py
set.h
SetCheckState.h
SetLogState.h
SettingsData.h
setup.py
shared_functions.py
Shift.h
shortest_segment.h
show_particles_as_spheres.py
Showable.h
showable_macros.h
simple_connectivity_on_molecules.py
simple_connectivity_on_rigid_bodies.py
simple_diameter.py
simple_distance.py
simple_em_fit.py
simple_excluded_volume.py
simple_links.h
Simplex.h
simplex.py
simplify_restraint.h
simulate_density_from_pdb.py
simulation.py
Simulator.h
kernel/singleton_macros.h
singleton_macros.h
singleton_predicates.h
SingletonConstraint.h
kernel/SingletonContainer.h
SingletonContainer.h
SingletonContainerSet.h
SingletonContainerStatistics.h
kernel/SingletonDerivativeModifier.h
SingletonDerivativeModifier.h
kernel/SingletonModifier.h
SingletonModifier.h
kernel/SingletonPredicate.h
SingletonPredicate.h
SingletonRestraint.h
SingletonsConstraint.h
kernel/SingletonScore.h
SingletonScore.h
SingletonsOptimizerState.h
SingletonsRestraint.h
six_particles_optimization.py
slave_handler.py
slavestate.py
Slice.h
SlidingPriorRestraint.h
smoothing_functions.h
SoftCylinderPairScore.h
solutions_io.py
SolventAccessibleSurface.h
Sphere3D.h
SphereD.h
SphereDistance.h
SphereDistancePairScore.h
SpherePatch3D.h
SphericalVector3D.h
SpiderHeader.h
SpiderImageReaderWriter.h
SpiderReaderWriter.h
standard_grids.h
StateAdaptor.h
Statistical.h
StatisticalPairScore.h
statistics.h
Statistics.py
statistics_config.h
SteepestDescent.h
StereochemistryPairFilter.h
structure_from_sequence.py
subproc.py
Subset.h
subset_filters.h
subset_graphs.h
subset_scores.h
surface.py
SurfaceShellDensityMap.h
swap_macros.h
swig_macros.h
Switching.h
symmetric_multifit.h
symmetry.h
symmetry.py
symmetry_utils.h
system.h
system_config.h
TableRefiner.h
TALOSReader.py
TALOSRestraint.h
tasks.py
TBLReader.py
test.h
thread_macros.h
threads.h
TIFFImageReaderWriter.h
tracking.h
Transform.h
Transformation2D.h
Transformation3D.h
TransformationClustering.h
TransformedDistancePairScore.h
transforms.py
Triangle3D.h
kernel/triplet_macros.h
triplet_macros.h
triplet_predicates.h
TripletConstraint.h
kernel/TripletContainer.h
TripletContainer.h
TripletContainerSet.h
TripletContainerStatistics.h
kernel/TripletDerivativeModifier.h
TripletDerivativeModifier.h
kernel/TripletModifier.h
TripletModifier.h
kernel/TripletPredicate.h
TripletPredicate.h
TripletRestraint.h
TripletsConstraint.h
kernel/TripletScore.h
TripletScore.h
TripletsOptimizerState.h
TripletsRestraint.h
TruncatedHarmonic.h
TuneRex.py
tuple_macros.h
Typed.h
TypedPairScore.h
types.h
kernel/unary_function_macros.h
unary_function_macros.h
kernel/UnaryFunction.h
UnaryFunction.h
UnaryFunctionEvaluate.h
kernel/Undecorator.h
Undecorator.h
univariate_functions.h
util.py
algebra/utility.h
base/utility.h
benchmark/utility.h
core/utility.h
domino/utility.h
kernel/utility.h
saxs/utility.h
statistics/utility.h
utility.h
utility.py
utility_macros.h
utils.py
validate_profile.cpp
Value.h
value_macros.h
Vector.h
Vector2D.h
Vector3D.h
vector_generators.h
vector_metrics.h
vector_property_map.h
vector_search.h
VectorD.h
VelocityScalingOptimizerState.h
base/VersionInfo.h
kernel/VersionInfo.h
VersionInfo.h
view_density_header.py
VolumeRestraint.h
vonMises.h
vonMisesKappaConjugateRestraint.h
vonMisesKappaJeffreysRestraint.h
vonMisesSufficient.h
Voxel.h
warning_macros.h
WarningContext.h
base/WeakPointer.h
kernel/WeakPointer.h
WeakPointer.h
weighted_excluded_volume.h
WeightedExcludedVolumeRestraint.h
WeightScore.h
WormLikeChain.h
write_a_metric.py
write_a_restraint.py
write_an_optimizer_state.py
Writer.h
writer_macros.h
XplorReaderWriter.h
XYZ.h
XYZ_Decorator.py
XYZR.h
XYZR_Decorator.py
File Members
Examples
BondSingletonScore.h
Go to the documentation of this file.
1
/**
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* \file IMP/atom/BondSingletonScore.h
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* \brief A Score on the distance between a the two particles in a bond.
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*
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* Copyright 2007-2013 IMP Inventors. All rights reserved.
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*/
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#ifndef IMPATOM_BOND_SINGLETON_SCORE_H
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#define IMPATOM_BOND_SINGLETON_SCORE_H
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#include <IMP/atom/atom_config.h>
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#include "
bond_decorators.h
"
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#include <
IMP/SingletonScore.h
>
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#include <
IMP/UnaryFunction.h
>
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#include <
IMP/base/Pointer.h
>
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IMPATOM_BEGIN_NAMESPACE
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//! Score the bond based on a UnaryFunction,
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/** The score is based on the difference between the stored length
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and the actual length and scaled by the stiffness. That is
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stiffness * (distance-bond_length)
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\ingroup bond
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\see Bond
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\see Bonded
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*/
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class
IMPATOMEXPORT
BondSingletonScore
:
public
SingletonScore
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{
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IMP::base::OwnerPointer<UnaryFunction>
f_;
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public
:
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//! Use f to penalize deviations in length
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BondSingletonScore
(
UnaryFunction
*f);
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UnaryFunction
*get_unary_function()
const
{
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return
f_;
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}
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IMP_SINGLETON_SCORE
(
BondSingletonScore
);
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};
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IMP_OBJECTS
(
BondSingletonScore
,
BondSingletonScores
);
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IMPATOM_END_NAMESPACE
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#endif
/* IMPATOM_BOND_SINGLETON_SCORE_H */