IMP
2.0.1
The Integrative Modeling Platform
Main Page
Related Pages
Modules
Namespaces
Classes
Files
Examples
File List
File Members
IMP
IMP Documentation
Application Index
Argument Index
Class Examples
Modeling of GroEL with cnmultifit
Modeling of 3sfd with EMageFit
EMageFit protocol
EMageFit scripts and tools
Factory Index
Determination of a Nup133 structure with FoXS
Function Examples
Example design discussion
Developer Guide
Change History
Installation
Introduction
Mailing lists
Multithreaded evaluation using OpenMP
Integrative docking utility programs
Docking of PCSK9 with idock
Dependencies between objects
Module Index
Modeling of 3sfd with multifit
Deprecated List
Modules
Namespaces
Classes
Files
File List
__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
kernel/base_types.h
Go to the documentation of this file.
1
/**
2
* \file IMP/kernel/base_types.h \brief Basic types used by IMP.
3
*
4
* Copyright 2007-2013 IMP Inventors. All rights reserved.
5
*
6
*/
7
8
#ifndef IMPKERNEL_BASE_TYPES_H
9
#define IMPKERNEL_BASE_TYPES_H
10
11
#include <IMP/kernel/kernel_config.h>
12
#include "
Key.h
"
13
#include "
key_macros.h
"
14
#include <
IMP/base/object_macros.h
>
15
#include <
IMP/base/Vector.h
>
16
#include <
IMP/base/Pointer.h
>
17
#include <
IMP/base/WeakPointer.h
>
18
#include <
IMP/base/types.h
>
19
#include <
IMP/base/Array.h
>
20
#include <
IMP/base/Index.h
>
21
22
IMPKERNEL_BEGIN_NAMESPACE
23
24
/** @name Attribute Keys
25
Each type of attribute has an associated type of key. The keys can
26
be constructed from a string. Such construction can be expensive
27
and so the resulting keys should be cached.
28
@{
29
*/
30
31
//! The type used to identify float attributes in the Particles
32
IMP_DECLARE_KEY_TYPE
(
FloatKey
, 0);
33
//! The type used to identify int attributes in the Particles
34
IMP_DECLARE_KEY_TYPE
(
IntKey
, 1);
35
//! The type used to identify string attributes in the Particles
36
IMP_DECLARE_KEY_TYPE
(
StringKey
, 2);
37
//! The type used to identify a particle attribute in the Particles
38
IMP_DECLARE_KEY_TYPE
(
ParticleIndexKey
, 3);
39
//! The type used to identify an Object attribute
40
IMP_DECLARE_KEY_TYPE
(
ObjectKey
, 4);
41
//! The type used to identify a non-ref counted Object attribute
42
IMP_DECLARE_KEY_TYPE
(
WeakObjectKey
, 9);
43
//! The type used to identify int attributes in the Particles
44
IMP_DECLARE_KEY_TYPE
(
IntsKey
, 5);
45
//! The type used to identify a particle attribute in the Particles
46
IMP_DECLARE_KEY_TYPE
(
ParticleIndexesKey
, 6);
47
48
#ifndef IMP_DOXYGEN
49
// for backwards compat, no way to provide a warning on this
50
typedef
ParticleIndexesKey
ParticlesKey;
51
typedef
ParticleIndexKey
ParticleKey;
52
#endif
53
54
//! The type used to identify a particle attribute in the Particles
55
IMP_DECLARE_KEY_TYPE
(
ObjectsKey
, 7);
56
57
//! The type used to identify data stored directly in the model.
58
IMP_DECLARE_KEY_TYPE
(
ModelKey
, 8);
59
60
/** @} */
61
62
63
class
Restraint
;
64
IMP_OBJECTS
(
Restraint
,
Restraints
);
65
class
ModelObject
;
66
IMP_OBJECTS
(
ModelObject
,
ModelObjects
);
67
typedef
base::Vector<ModelObjectsTemp>
ModelObjectsTemps
;
68
69
class
Model
;
70
IMP_OBJECTS
(
Model
,
Models
);
71
class
RestraintSet
;
72
IMP_OBJECTS
(
RestraintSet
,
RestraintSets
);
73
class
ScoreState
;
74
IMP_OBJECTS
(
ScoreState
,
ScoreStates
);
75
class
ScoringFunction
;
76
IMP_OBJECTS
(
ScoringFunction
,
ScoringFunctions
);
77
class
Container
;
78
IMP_OBJECTS
(
Container
,
Containers
);
79
class
Particle
;
80
typedef
base::Vector<base::Pointer<Particle>
>
Particles
;
81
typedef
base::Vector<base::WeakPointer<Particle>
>
ParticlesTemp
;
82
typedef
base::Vector<ParticlesTemp >
ParticlesTemps
;
83
class
OptimizerState
;
84
IMP_OBJECTS
(
OptimizerState
,
OptimizerStates
);
85
class
SingletonContainer
;
86
IMP_OBJECTS
(
SingletonContainer
,
SingletonContainers
);
87
class
PairContainer
;
88
IMP_OBJECTS
(
PairContainer
,
PairContainers
);
89
class
TripletContainer
;
90
IMP_OBJECTS
(
TripletContainer
,
TripletContainers
);
91
class
QuadContainer
;
92
IMP_OBJECTS
(
QuadContainer
,
QuadContainers
);
93
94
class
SingletonScore
;
95
IMP_OBJECTS
(
SingletonScore
,
SingletonScores
);
96
class
PairScore
;
97
IMP_OBJECTS
(
PairScore
,
PairScores
);
98
class
TripletScore
;
99
IMP_OBJECTS
(
TripletScore
,
TripletScores
);
100
class
QuadScore
;
101
IMP_OBJECTS
(
QuadScore
,
QuadScores
);
102
103
class
SingletonPredicate
;
104
IMP_OBJECTS
(
SingletonPredicate
,
SingletonPredicates
);
105
class
PairPredicate
;
106
IMP_OBJECTS
(
PairPredicate
,
PairPredicates
);
107
class
TripletPredicate
;
108
IMP_OBJECTS
(
TripletPredicate
,
TripletPredicates
);
109
class
QuadPredicate
;
110
IMP_OBJECTS
(
QuadPredicate
,
QuadPredicates
);
111
112
class
SingletonModifier
;
113
IMP_OBJECTS
(
SingletonModifier
,
SingletonModifiers
);
114
class
PairModifier
;
115
IMP_OBJECTS
(
PairModifier
,
PairModifiers
);
116
class
TripletModifier
;
117
IMP_OBJECTS
(
TripletModifier
,
TripletModifiers
);
118
class
QuadModifier
;
119
IMP_OBJECTS
(
QuadModifier
,
QuadModifiers
);
120
121
122
123
/** An ordered pair of particles.*/
124
typedef
base::Array<2, base::WeakPointer<Particle>
,
Particle
*>
125
ParticlePair
;
126
IMP_VALUES
(
ParticlePair
,
ParticlePairsTemp
);
127
/** An ordered triplet of particles.*/
128
typedef
base::Array<3, base::WeakPointer<Particle>
,
Particle
*>
129
ParticleTriplet
;
130
IMP_VALUES
(
ParticleTriplet
,
ParticleTripletsTemp
);
131
/** An ordered quad of particles.*/
132
typedef
base::Array<4, base::WeakPointer<Particle>
,
Particle
*>
133
ParticleQuad
;
134
IMP_VALUES
(
ParticleQuad
,
ParticleQuadsTemp
);
135
136
137
class
ParticleIndexTag{};
138
/** A unique identifier for a particle within a Model. Use it to get
139
attributes and do other operations.*/
140
typedef
base::Index<ParticleIndexTag>
ParticleIndex
;
141
typedef
base::Vector<ParticleIndex>
ParticleIndexes
;
142
143
typedef
base::Array<2, ParticleIndex>
ParticleIndexPair
;
144
typedef
base::Array<3, ParticleIndex>
ParticleIndexTriplet
;
145
typedef
base::Array<4, ParticleIndex>
ParticleIndexQuad
;
146
147
IMP_VALUES
(
ParticleIndexPair
,
ParticleIndexPairs
);
148
IMP_VALUES
(
ParticleIndexTriplet
,
ParticleIndexTriplets
);
149
IMP_VALUES
(
ParticleIndexQuad
,
ParticleIndexQuads
);
150
151
IMPKERNEL_END_NAMESPACE
152
153
#endif
/* IMPKERNEL_BASE_TYPES_H */