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
ReferenceFrame3D.h
Go to the documentation of this file.
1
/**
2
* \file IMP/algebra/ReferenceFrame3D.h \brief Simple 3D rotation class.
3
*
4
* Copyright 2007-2013 IMP Inventors. All rights reserved.
5
*
6
*/
7
8
#ifndef IMPALGEBRA_REFERENCE_FRAME_3D_H
9
#define IMPALGEBRA_REFERENCE_FRAME_3D_H
10
11
#include <IMP/algebra/algebra_config.h>
12
#include "
Transformation3D.h
"
13
14
IMPALGEBRA_BEGIN_NAMESPACE
15
16
17
18
//! A reference frame in 3D.
19
/**
20
\geometry
21
*/
22
class
IMPALGEBRAEXPORT
ReferenceFrame3D
{
23
Transformation3D
tr_;
24
mutable
bool
has_inverse_;
25
mutable
Transformation3D
tri_;
26
const
Transformation3D
& get_inverse()
const
{
27
if
(!has_inverse_) {
28
tri_= tr_.get_inverse();
29
has_inverse_=
true
;
30
}
31
return
tri_;
32
}
33
public
:
34
//! Create the default reference frame
35
/** That is, the origin with x,y,z axis as the principal axes.*/
36
ReferenceFrame3D
(): tr_(
get_identity_transformation_3d
()),
37
has_inverse_(true),
38
tri_(tr_){}
39
//! a reference frame specified by a transformation matrix
40
/** Constructs a reference frame using transformation tr
41
42
@param tr a transformation from local coordinates in this
43
constructed reference frame to the global coordinates
44
(equiv., tr brings the origin of the global frame
45
to the origin of this frame, in global coordinates),
46
*/
47
explicit
ReferenceFrame3D
(
const
Transformation3D
&tr): tr_(tr),
48
has_inverse_(false){}
49
~
ReferenceFrame3D
();
50
//! Get the transformation that brings the origin of the global reference
51
//! frame to the origin of this frame (both in global coordinates).
52
const
Transformation3D
&
get_transformation_to
()
const
{
53
return
tr_;
54
}
55
//! Get the transformation from the origin of this reference frame
56
//! to the origin of the global frame (both in global coordinates).
57
const
Transformation3D
&
get_transformation_from
()
const
{
58
return
get_inverse();
59
}
60
//! Assume the input vector is in local coordinates and transform
61
//! it to global ones.
62
Vector3D
get_global_coordinates
(
const
Vector3D
&v)
const
{
63
return
tr_.get_transformed(v);
64
}
65
//! Assume the input vector is in global coordinates and get the local
66
//! coordinates.
67
Vector3D
get_local_coordinates
(
const
Vector3D
&v)
const
{
68
return
get_inverse().get_transformed(v);
69
}
70
//! Assume the input vector is in local coordinates and transform
71
//! it to global ones.
72
ReferenceFrame3D
get_global_reference_frame
(
const
ReferenceFrame3D
&v)
const
{
73
return
ReferenceFrame3D
(tr_*v.tr_);
74
}
75
//! Assume the input vector is in global coordinates and get the local
76
//! coordinates.
77
ReferenceFrame3D
get_local_reference_frame
(
const
ReferenceFrame3D
&v)
const
{
78
return
ReferenceFrame3D
(get_inverse() *v.tr_);
79
}
80
IMP_SHOWABLE_INLINE
(
ReferenceFrame3D
, {out << tr_;});
81
};
82
83
84
IMP_VALUES
(
ReferenceFrame3D
,
ReferenceFrame3Ds
);
85
86
inline
ReferenceFrame3D
87
get_transformed
(
const
ReferenceFrame3D
&rf,
const
Transformation3D
&tr) {
88
return
ReferenceFrame3D
(tr*rf.
get_transformation_to
());
89
}
90
91
inline
Transformation3D
92
get_transformation_from_first_to_second(
const
ReferenceFrame3D &a,
93
const
ReferenceFrame3D &b) {
94
return
b.get_transformation_to()*a.get_transformation_from();
95
}
96
97
IMPALGEBRA_END_NAMESPACE
98
#endif
/* IMPALGEBRA_REFERENCE_FRAME_3D_H */