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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 library is free software and is distributed under the terms and
     conditions of the CCP4 licence agreement as `Part 0' (Annex 2)
     software, which is version 2.1 of the GNU Lesser General Public
     Licence (LGPL) with the following additional clause:

        `You may also combine or link a "work that uses the Library" to
        produce a work containing portions of the Library, and distribute
        that work under terms of your choice, provided that you give
        prominent notice with each copy of the work that the specified
        version of the Library is used in it, and that you include or
        provide public access to the complete corresponding
        machine-readable source code for the Library including whatever
        changes were used in the work. (i.e. If you make changes to the
        Library you must distribute those, but you do not need to
        distribute source or object code to those portions of the work
        not covered by this licence.)'

     Note that this clause grants an additional right and does not impose
     any additional restriction, and so does not affect compatibility
     with the GNU General Public Licence (GPL). If you wish to negotiate
     other terms, please contact the maintainer.

     You can redistribute it and/or modify the library under the terms of
     the GNU Lesser General Public License as published by the Free Software
     Foundation; either version 2.1 of the License, or (at your option) any
     later version.

     This library is distributed in the hope that it will be useful, but
     WITHOUT ANY WARRANTY; without even the implied warranty of
     MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
     Lesser General Public License for more details.

     You should have received a copy of the CCP4 licence and/or GNU
     Lesser General Public License along with this library; if not, write
     to the CCP4 Secretary, Daresbury Laboratory, Warrington WA4 4AD, UK.
     The GNU Lesser General Public can also be obtained by writing to the
     Free Software Foundation, Inc., 59 Temple Place, Suite 330, Boston,
     MA 02111-1307 USA
*/

#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