blob: 5c38da85a8429aac2524d97e136d3dd3e8722d61 (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
|
/*
* crystal.h
*
* Crystallographic stuff
*
* (c) 2009 Thomas White <taw27@cam.ac.uk>
*
* Triclinator - solve nasty triclinic unit cells
*
*/
#ifndef CRYSTAL_H
#define CRYSTAL_H
#define RAD2DEG(a) ((a)*180/M_PI)
#define DEG2RAD(a) ((a)*M_PI/180)
#include "util.h"
typedef struct
{
double a;
double b;
double c;
double al;
double be;
double ga;
} Cell;
/* Return what the measurement 'val' would have been if the cell were 'cell' */
extern double crystal_calc(MVal val, Cell cell);
#endif /* CRYSTAL_H */
|