IMP Reference Guide
develop.36b5e40f34,2024/10/13
The Integrative Modeling Platform
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Composable functors to implement scores via compile-time composition. More...
Composable functors to implement scores via compile-time composition.
Currently, there is support for distance based IMP::PairScore types generated from the IMP::score_functor::DistanceScore and IMP::score_functor::DistancePairScore. Angles and others can be added if desired.
No functionality is exported to Python. It can be done with some work, but it is not clear that it would be very useful.
Author(s): Daniel Russel
Maintainer: benmwebb
License: LGPL This library is free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version.
Publications:
Classes | |
class | AddScores |
class | DistancePairScore |
Create efficient distance-based pair scores. More... | |
class | DistancePairScoreWithCache |
Create efficient distance-based pair scores, with cache. More... | |
class | Dope |
Score pair of atoms based on DOPE. More... | |
class | Harmonic |
class | HarmonicLowerBound |
class | HarmonicUpperBound |
class | LinearLowerBound |
class | LoopStatistical |
Score atoms based on the Fiser/Melo loop modeling statistical potential. More... | |
class | OpenCubicSpline |
Open cubic spline function. More... | |
class | OrientedSoap |
Orientation-dependent SOAP score. More... | |
class | PointToSphereDistance |
struct | Score |
A functor for computing a distance based score for D particles. More... | |
class | ScoreUnaryFunction |
struct | ScoreWithCache |
A cached functor for computing a distance based score for D particles. More... | |
class | Shift |
class | SingletonStatistical |
Create a single key/single particle statistical potential from a file. More... | |
class | Soap |
Score pairs of atoms based on SOAP. More... | |
class | SphereDistance |
class | Statistical |
class | SurfaceDepthPairScore |
Create efficient surface depth-based pair scores. More... | |
class | SurfaceDistancePairScore |
Create efficient surface distance-based pair scores. More... | |
class | SurfaceHeightPairScore |
Create efficient surface height-based pair scores. More... | |
class | UnaryFunctionEvaluate |
class | WeightScore |
Typedefs | |
typedef Key< 6453462 > | DopeType |
The type of atoms for Dope. More... | |
typedef IMP::Vector< DopeType > | DopeTypes |
typedef Key< 6453472 > | LoopStatisticalType |
typedef IMP::Vector < LoopStatisticalType > | LoopStatisticalTypes |
Standard module functions | |
All | |
std::string | get_module_version () |
Return the version of this module, as a string. More... | |
std::string | get_module_name () |
std::string | get_data_path (std::string file_name) |
Return the full path to one of this module's data files. More... | |
std::string | get_example_path (std::string file_name) |
Return the full path to one of this module's example files. More... | |
typedef Key<6453462> IMP::score_functor::DopeType |
typedef IMP::Vector< DopeType > IMP::score_functor::DopeTypes |
typedef Key<6453472> IMP::score_functor::LoopStatisticalType |
The type of atoms for the loop modeling potential.
Definition at line 21 of file LoopStatistical.h.
Pass or store a set of LoopStatisticalType .
Definition at line 22 of file LoopStatistical.h.
std::string IMP::score_functor::get_data_path | ( | std::string | file_name | ) |
Return the full path to one of this module's data files.
To read the data file "data_library" that was placed in the data
directory of this module, do something like
This will ensure that the code works both when IMP is installed or if used via the setup_environment.sh
script.
std::string IMP::score_functor::get_example_path | ( | std::string | file_name | ) |
Return the full path to one of this module's example files.
To read the example file "example_protein.pdb" that was placed in the examples
directory of this module, do something like
This will ensure that the code works both when IMP is installed or if used via the setup_environment.sh
script.
std::string IMP::score_functor::get_module_version | ( | ) |
Return the version of this module, as a string.
Definition at line 5 of file EMageFit/__init__.py.