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IMP Reference Guide
develop.549d75e6f4,2024/11/20
The Integrative Modeling Platform
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#include <IMP/saxs/Distribution.h>
Inheritance diagram for IMP::saxs::RadialDistributionFunction:Radial Distribution class for calculating SAXS Profile this is distance distribution multiplied by form factors of atoms
Definition at line 72 of file saxs/distribution.h.
Public Member Functions | |
| RadialDistributionFunction (double bin_size=pr_resolution) | |
| Constructor (default) More... | |
| RadialDistributionFunction (const std::string &file_name) | |
| Constructor from gnom file. More... | |
| void | add (const RadialDistributionFunction &model_pr) |
| add another distribution More... | |
| void | add_to_distribution (double dist, double value) |
| double | fit (const RadialDistributionFunction &model_pr, const std::string &file_name="") const |
| fit the distributions by scaling according to maximum More... | |
| const std::vector< double > & | get_square_root_distances () const |
| Get square root of distance for each distribution point. More... | |
| void | normalize () |
| normalize to area = 1.0 More... | |
| double | R_factor_score (const RadialDistributionFunction &model_pr, const std::string &file_name="") const |
| analogy crystallographic R-factor score More... | |
| void | scale (double c) |
| scale distribution by a constant More... | |
| void | show (std::ostream &out=std::cout) const |
| print tables More... | |
| Public Member Functions inherited from IMP::saxs::Distribution< double > | |
| Distribution (double bin_size=pr_resolution) | |
| Constructor. More... | |
| double | get_bin_size () const |
| returns bin size More... | |
| double | get_distance_from_index (unsigned int index) const |
| unsigned int | get_index_from_distance (double dist) const |
| double | get_max_distance () const |
| returns maximal distance value of distribution More... | |
Additional Inherited Members | |
| Protected Member Functions inherited from IMP::saxs::Distribution< double > | |
| void | init (double bin_size) |
| Protected Attributes inherited from IMP::saxs::Distribution< double > | |
| double | bin_size_ |
| double | max_distance_ |
| double | one_over_bin_size_ |
| IMP::saxs::RadialDistributionFunction::RadialDistributionFunction | ( | double | bin_size = pr_resolution | ) |
Constructor (default)
| IMP::saxs::RadialDistributionFunction::RadialDistributionFunction | ( | const std::string & | file_name | ) |
Constructor from gnom file.
| void IMP::saxs::RadialDistributionFunction::add | ( | const RadialDistributionFunction & | model_pr | ) |
add another distribution
| double IMP::saxs::RadialDistributionFunction::fit | ( | const RadialDistributionFunction & | model_pr, |
| const std::string & | file_name = "" |
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| ) | const |
fit the distributions by scaling according to maximum
| const std::vector<double>& IMP::saxs::RadialDistributionFunction::get_square_root_distances | ( | ) | const |
Get square root of distance for each distribution point.
This is cached, and points to internal storage, so should not be used after the distribution is modified or destroyed.
Definition at line 85 of file saxs/distribution.h.
| void IMP::saxs::RadialDistributionFunction::normalize | ( | ) |
normalize to area = 1.0
| double IMP::saxs::RadialDistributionFunction::R_factor_score | ( | const RadialDistributionFunction & | model_pr, |
| const std::string & | file_name = "" |
||
| ) | const |
analogy crystallographic R-factor score
| void IMP::saxs::RadialDistributionFunction::scale | ( | double | c | ) |
scale distribution by a constant
| void IMP::saxs::RadialDistributionFunction::show | ( | std::ostream & | out = std::cout | ) | const |
print tables