obutil.h File Reference
Various utility methods. More...
#include <openbabel/babelconfig.h>
#include <string>
#include <iosfwd>
#include <time.h>
#include <math.h>
#include <openbabel/rand.h>
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Go to the source code of this file.
Namespaces | |
| namespace | OpenBabel |
Classes | |
| class | OBStopwatch |
| Stopwatch class used for timing length of execution. More... | |
| class | OBSqrtTbl |
| Square Root lookup table - given a distance squared returns distance. More... | |
| class | triple |
| A 3-element templated, based on the design of the STL pair<>. More... | |
| class | quad |
| A 4-element templated, based on the design of the STL pair<>. More... | |
Defines | |
| #define | M_PI 3.14159265358979323846 |
Functions | |
| void | rotate_coords (double *, double m[3][3], int) |
| double | calc_rms (double *r, double *f, unsigned int N) |
| bool | OBCompareInt (const int &a, const int &b) |
| bool | OBCompareUnsigned (const unsigned int &a, const unsigned int &b) |
| bool | IsNear (const double &a, const double &b, const double epsilon) |
| bool | IsNearZero (const double &a, const double epsilon) |
| bool | IsNan (const double &a) |
| bool | IsNegligible (const double &a, const double &b, const double precision=1e-11) |
| bool | IsApprox (const double &a, const double &b, const double precision=1e-11) |
| bool | IsApprox_pos (const double &a, const double &b, const double precision=1e-11) |
| bool | CanBeSquared (const double &) |
| bool | SafeOpen (std::ifstream &fs, const char *filename) |
| bool | SafeOpen (std::ofstream &fs, const char *filename) |
String conversion utilities | |
| void | ToUpper (std::string &s) |
| void | ToUpper (char *cptr) |
| void | ToLower (std::string &s) |
| void | ToLower (char *cptr) |
| void | InvertCase (std::string &, int) |
| void | InvertCase (char *cptr) |
| void | CleanAtomType (char *) |
Detailed Description
Various utility methods.
Define Documentation
| #define M_PI 3.14159265358979323846 |
