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ccp4_unitcell.h

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/*
     ccp4_unitcell.h: headers for C library for ccp4_unitcell.c
     Copyright (C) 2001  CCLRC, Martyn Winn  

     This code is distributed under the terms and conditions of the
     CCP4 Program Suite Licence Agreement as a CCP4 Library.
     A copy of the CCP4 licence can be obtained by writing to the
     CCP4 Secretary, Daresbury Laboratory, Warrington WA4 4AD, UK.
*/

#ifndef __CCP4_UNITCELL
#define __CCP4_UNITCELL

#ifdef  __cplusplus
namespace CCP4uc {
extern "C" {
#endif

#include <math.h>

double ccp4uc_frac_orth_mat(const double cell[6], const int ncode, 
                           double ro[3][3], double rf[3][3]);

double ccp4uc_calc_rcell(const double cell[6], double rcell[6]);

void ccp4uc_orth_to_frac(const double rf[3][3], const double xo[3], double xf[3]);

void ccp4uc_frac_to_orth(const double ro[3][3], const double xf[3], double xo[3]);

void ccp4uc_orthu_to_fracu(const double rf[3][3], const double uo[6], double uf[6]);

void ccp4uc_fracu_to_orthu(const double ro[3][3], const double uf[6], double uo[6]);

double ccp4uc_calc_cell_volume(const double cell[6]);

int ccp4uc_cells_differ(const double cell1[6], const double cell2[6], const double tolerance);

int ccp4uc_is_rhombohedral(const float cell[6], const float tolerance);

int ccp4uc_is_hexagonal(const float cell[6], const float tolerance);

#ifdef __cplusplus
} }
#endif

#endif