generic.hpp File Reference
File for containing generic or common functions. More...
#include <array>#include <iostream>#include <math.h>#include <mol_sys.hpp>#include <boost/math/constants/constants.hpp>#include <Eigen/Core>#include <Eigen/Dense>
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Namespaces | |
| gen | |
| Small generic functions that are shared by all namespaces. | |
Functions | |
| double | gen::radDeg (double angle) |
| double | gen::eigenVecAngle (std::vector< double > OO, std::vector< double > OH) |
| Eigen function for getting the angle (in radians) between the O–O and O-H vectors. More... | |
| double | gen::getAverageWithoutOutliers (std::vector< double > inpVec) |
| Get the average, after excluding the outliers, using quartiles. More... | |
| double | gen::calcMedian (std::vector< double > *input) |
| Inline generic function for calculating the median given a vector of the values. More... | |
| double | gen::periodicDist (molSys::PointCloud< molSys::Point< double >, double > *yCloud, int iatom, int jatom) |
| Inline generic function for obtaining the unwrapped periodic distance between two particles, whose indices (not IDs) have been given. More... | |
| double | gen::unWrappedDistFromPoint (molSys::PointCloud< molSys::Point< double >, double > *yCloud, int iatom, std::vector< double > singlePoint) |
| double | gen::distance (molSys::PointCloud< molSys::Point< double >, double > *yCloud, int iatom, int jatom) |
| Inline generic function for obtaining the wrapped distance between two particles WITHOUT applying PBCs, whose indices (not IDs) have been given. More... | |
| std::array< double, 3 > | gen::relDist (molSys::PointCloud< molSys::Point< double >, double > *yCloud, int iatom, int jatom) |
| bool | gen::compareByAtomID (const molSys::Point< double > &a, const molSys::Point< double > &b) |
| int | gen::prettyPrintYoda (molSys::PointCloud< molSys::Point< double >, double > *yCloud, std::string outFile) |
| Generic function for printing all the struct information. More... | |
| int | gen::unwrappedCoordShift (molSys::PointCloud< molSys::Point< double >, double > *yCloud, int iatomIndex, int jatomIndex, double *x_i, double *y_i, double *z_i, double *x_j, double *y_j, double *z_j) |
| Shift particles (unwrapped coordinates) More... | |
| double | gen::angDistDegQuaternions (std::vector< double > quat1, std::vector< double > quat2) |
| std::vector< std::string > | gen::tokenizer (std::string line) |
| Function for tokenizing line strings into words (strings) delimited by whitespace. This returns a vector with the words in it. More... | |
| std::vector< double > | gen::tokenizerDouble (std::string line) |
| Function for tokenizing line strings into a vector of doubles. More... | |
| std::vector< int > | gen::tokenizerInt (std::string line) |
| Function for tokenizing line strings into a vector of ints. More... | |
| bool | gen::file_exists (const std::string &name) |
| Function for checking if a file exists or not. More... | |
| std::vector< std::complex< double > > | gen::avgVector (std::vector< std::complex< double >> v, int l, int neigh) |
Variables | |
| const double | gen::pi = boost::math::constants::pi<double>() |
Detailed Description
File for containing generic or common functions.
Definition in file generic.hpp.