Move unit cell utility stuff to separate module

1 files changed, 58 insertions, 0 deletions

diff --git a/libcrystfel/src/cell-utils.h b/libcrystfel/src/cell-utils.h
new file mode 100644
index 00000000..8d8cfc6d
--- /dev/null
+++ b/libcrystfel/src/cell-utils.h
@@ -0,0 +1,58 @@
+/*
+ * 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 */