Tracks displacements of molecular group mass centers. More...
#include <analysis.h>
Inheritance diagram for Faunus::analysis::MassCenterDisplacement:
Collaboration diagram for Faunus::analysis::MassCenterDisplacement:
Public Member Functions | |
| MassCenterDisplacement (const json &j, const Space &spc, std::string_view name="displacement_com") | |
 Public Member Functions inherited from Faunus::analysis::AtomicDisplacement | |
| AtomicDisplacement (const json &j, const Space &spc, std::string_view name="displacement") | |
| Public Member Functions inherited from Faunus::analysis::Analysis | |
| void | to_json (json &j) const |
| JSON report w. statistics, output etc. | |
| void | from_json (const json &j) |
| configure from json object | |
| void | to_disk () |
| Save data to disk (if defined) More... | |
| void | sample () |
| Increase step count and sample. More... | |
| int | getNumberOfSteps () const |
| Number of steps. | |
| Analysis (const Space &spc, std::string_view name) | |
| Analysis (const Space &spc, std::string_view name, int sample_interval, int number_of_skipped_steps) | |
Additional Inherited Members | |
| Public Attributes inherited from Faunus::analysis::Analysis | |
| const std::string | name |
| descriptive name | |
| std::string | cite |
| url, doi etc. describing the analysis | |
| Protected Attributes inherited from Faunus::analysis::AtomicDisplacement | |
| MoleculeData::index_type | molid |
| Protected Attributes inherited from Faunus::analysis::Analysis | |
| const Space & | spc |
| Instance of Space to analyse. | |
| int | sample_interval = 0 |
| Steps in between each sample point (do not modify) | |
| int | number_of_samples = 0 |
| counter for number of samples | |
Detailed Description
Tracks displacements of molecular group mass centers.
Based on AtomicDisplacement.
The documentation for this class was generated from the following files:
- src/analysis.h
- src/analysis.cpp
