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ccp4_unitcell.h
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/*
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ccp4_unitcell.h: headers for C library for ccp4_unitcell.c
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Copyright (C) 2001 CCLRC, Martyn Winn
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This library is free software: you can redistribute it and/or
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modify it under the terms of the GNU Lesser General Public
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License as published by the Free Software Foundation, either
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version 3 of the License, or (at your option) any later version.
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This library is distributed in the hope that it will be useful,
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but WITHOUT ANY WARRANTY; without even the implied warranty of
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MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
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Lesser General Public License for more details.
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You should have received a copy of the GNU Lesser General Public
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License along with This library. If not, see
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<http://www.gnu.org/licenses/>.
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*/
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#ifndef __CCP4_UNITCELL
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#define __CCP4_UNITCELL
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#ifdef __cplusplus
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namespace
CCP4uc {
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extern
"C"
{
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#endif
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#include <math.h>
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double
ccp4uc_frac_orth_mat
(
const
double
cell[6],
const
int
ncode,
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double
ro[3][3],
double
rf[3][3]);
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double
ccp4uc_calc_rcell
(
const
double
cell[6],
double
rcell[6]);
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void
ccp4uc_orth_to_frac
(
const
double
rf[3][3],
const
double
xo[3],
double
xf[3]);
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void
ccp4uc_frac_to_orth
(
const
double
ro[3][3],
const
double
xf[3],
double
xo[3]);
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void
ccp4uc_orthu_to_fracu
(
const
double
rf[3][3],
const
double
uo[6],
double
uf[6]);
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void
ccp4uc_fracu_to_orthu
(
const
double
ro[3][3],
const
double
uf[6],
double
uo[6]);
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double
ccp4uc_calc_cell_volume
(
const
double
cell[6]);
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int
ccp4uc_cells_differ
(
const
double
cell1[6],
const
double
cell2[6],
const
double
tolerance);
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int
ccp4uc_is_rhombohedral
(
const
float
cell[6],
const
float
tolerance);
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int
ccp4uc_is_hexagonal
(
const
float
cell[6],
const
float
tolerance);
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#ifdef __cplusplus
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} }
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#endif
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#endif
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