Commit ae3a6a04 authored by Thomas White's avatar Thomas White
Browse files

Move unit cell utility stuff to separate module

parent 38f4df68
......@@ -7,7 +7,8 @@ libcrystfel_la_SOURCES = src/reflist.c src/utils.c src/cell.c src/detector.c \
src/beam-parameters.c src/geometry.c src/statistics.c \
src/symmetry.c src/stream.c src/peaks.c \
src/reflist-utils.c src/filters.c \
src/render.c src/index.c src/dirax.c src/mosflm.c
src/render.c src/index.c src/dirax.c src/mosflm.c \
src/cell-utils.c
if HAVE_FFTW
libcrystfel_la_SOURCES += src/reax.c
......@@ -22,7 +23,7 @@ libcrystfel_la_include_HEADERS = src/beam-parameters.h src/hdf5-file.h \
src/geometry.h src/peaks.h src/stream.h \
src/render.h src/index.h src/image.h \
src/filters.h src/dirax.h src/mosflm.h \
src/index-priv.h src/reax.h
src/index-priv.h src/reax.h src/cell-utils.h
INCLUDES = "-I$(top_srcdir)/data"
AM_CPPFLAGS = -DDATADIR=\""$(datadir)"\" -I$(top_builddir)/lib -Wall
......
This diff is collapsed.
/*
* cell-utils.h
*
* Unit Cell utility functions
*
* Copyright © 2012 Deutsches Elektronen-Synchrotron DESY,
* a research centre of the Helmholtz Association.
* Copyright © 2012 Lorenzo Galli
*
* Authors:
* 2009-2012 Thomas White <taw@physics.org>
* 2012 Lorenzo Galli
*
* This file is part of CrystFEL.
*
* CrystFEL is free software: you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
*
* CrystFEL 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 General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with CrystFEL. If not, see <http://www.gnu.org/licenses/>.
*
*/
#ifndef CELL_UTILS_H
#define CELL_UTILS_H
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif
extern double resolution(UnitCell *cell,
signed int h, signed int k, signed int l);
extern UnitCell *cell_rotate(UnitCell *in, struct quaternion quat);
extern UnitCell *rotate_cell(UnitCell *in, double omega, double phi,
double rot);
extern void cell_print(UnitCell *cell);
extern UnitCell *match_cell(UnitCell *cell, UnitCell *tempcell, int verbose,
const float *ltl, int reduce);
extern UnitCell *match_cell_ab(UnitCell *cell, UnitCell *tempcell);
extern UnitCell *load_cell_from_pdb(const char *filename);
extern int cell_is_sensible(UnitCell *cell);
extern void validate_cell(UnitCell *cell);
#endif /* CELL_UTILS_H */
This diff is collapsed.
/*
* cell.h
*
* Unit Cell Calculations
* A class representing a unit cell
*
* Copyright © 2012 Deutsches Elektronen-Synchrotron DESY,
* a research centre of the Helmholtz Association.
......@@ -128,24 +128,6 @@ extern void cell_set_centering(UnitCell *cell, char centering);
extern char cell_get_unique_axis(UnitCell *cell);
extern void cell_set_unique_axis(UnitCell *cell, char unique_axis);
extern double resolution(UnitCell *cell,
signed int h, signed int k, signed int l);
extern UnitCell *cell_rotate(UnitCell *in, struct quaternion quat);
extern UnitCell *rotate_cell(UnitCell *in, double omega, double phi,
double rot);
extern void cell_print(UnitCell *cell);
extern UnitCell *match_cell(UnitCell *cell, UnitCell *tempcell, int verbose,
const float *ltl, int reduce);
extern UnitCell *match_cell_ab(UnitCell *cell, UnitCell *tempcell);
extern UnitCell *load_cell_from_pdb(const char *filename);
extern int cell_is_sensible(UnitCell *cell);
extern void validate_cell(UnitCell *cell);
extern const char *cell_rep(UnitCell *cell);
#endif /* CELL_H */
......@@ -36,6 +36,7 @@
#include "utils.h"
#include "cell.h"
#include "cell-utils.h"
#include "image.h"
#include "peaks.h"
#include "beam-parameters.h"
......
......@@ -49,6 +49,7 @@
#include "index-priv.h"
#include "reax.h"
#include "geometry.h"
#include "cell-utils.h"
/* Base class constructor for unspecialised indexing private data */
......
......@@ -51,6 +51,7 @@
#include "filters.h"
#include "reflist-utils.h"
#include "beam-parameters.h"
#include "cell-utils.h"
/* Degree of polarisation of X-ray beam */
......
......@@ -47,6 +47,7 @@
#include "utils.h"
#include "peaks.h"
#include "cell.h"
#include "cell-utils.h"
#include "index.h"
#include "index-priv.h"
......
......@@ -35,6 +35,7 @@
#include "reflist.h"
#include "cell.h"
#include "cell-utils.h"
#include "utils.h"
#include "reflist-utils.h"
#include "symmetry.h"
......
......@@ -43,6 +43,7 @@
#include "symmetry.h"
#include "reflist.h"
#include "reflist-utils.h"
#include "cell-utils.h"
/* Number of bins for plot of resolution shells */
......
......@@ -44,6 +44,7 @@
#include "statistics.h"
#include "symmetry.h"
#include "reflist-utils.h"
#include "cell-utils.h"
/* Number of bins for plot of resolution shells */
......
......@@ -62,6 +62,7 @@
#include "geometry.h"
#include "stream.h"
#include "reflist-utils.h"
#include "cell-utils.h"
#include "im-sandbox.h"
......
......@@ -40,14 +40,15 @@
#include <assert.h>
#include <pthread.h>
#include <utils.h>
#include <reflist-utils.h>
#include <symmetry.h>
#include <beam-parameters.h>
#include <detector.h>
#include <geometry.h>
#include <stream.h>
#include <thread-pool.h>
#include "image.h"
#include "utils.h"
#include "reflist-utils.h"
#include "symmetry.h"
#include "beam-parameters.h"
#include "geometry.h"
#include "stream.h"
#include "thread-pool.h"
#include "cell-utils.h"
/* Number of bins for partiality graph */
#define NBINS 50
......
......@@ -42,6 +42,7 @@
#include "diffraction.h"
#include "diffraction-gpu.h"
#include "cell.h"
#include "cell-utils.h"
#include "utils.h"
#include "hdf5-file.h"
#include "detector.h"
......
......@@ -45,6 +45,7 @@
#include "symmetry.h"
#include "geometry.h"
#include "cell.h"
#include "cell-utils.h"
/* Maximum number of iterations of NLSq to do for each image per macrocycle. */
......
......@@ -51,6 +51,7 @@
#include "beam-parameters.h"
#include "reflist-utils.h"
#include "symmetry.h"
#include "cell-utils.h"
struct bin_stats {
......
......@@ -48,6 +48,7 @@
#include "render_hkl.h"
#include "reflist.h"
#include "reflist-utils.h"
#include "cell-utils.h"
#define KEY_FILENAME "key.pdf"
......
......@@ -36,6 +36,7 @@
#include <beam-parameters.h>
#include <utils.h>
#include <symmetry.h>
#include <cell-utils.h>
#ifdef HAVE_CLOCK_GETTIME
......
......@@ -32,6 +32,7 @@
#include <image.h>
#include <cell.h>
#include <cell-utils.h>
#include <geometry.h>
#include <reflist.h>
#include "../src/post-refinement.h"
......
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