Image, feature and unit cell infrastructure

Brought across from DTR and Synth3D

1 files changed, 55 insertions, 0 deletions

diff --git a/src/cell.h b/src/cell.h
new file mode 100644
index 00000000..e99c88df
--- /dev/null
+++ b/src/cell.h
@@ -0,0 +1,55 @@
+/*
+ * cell.h
+ *
+ * Unit Cell Calculations
+ *
+ * (c) 2007-2009 Thomas White <thomas.white@desy.de>
+ *
+ * template_index - Indexing diffraction patterns by template matching
+ *
+ */
+
+#ifndef CELL_H
+#define CELL_H
+
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+typedef struct {
+
+	/* Crystallographic representation */
+	double a;	/* nm */
+	double b;	/* nm */
+	double c;	/* nm */
+	double alpha;	/* Radians */
+	double beta;	/* Radians */
+	double gamma;	/* Radians */
+
+	/* Cartesian representation */
+	double ax;	double bx;	double cx;
+	double ay;	double by;	double cy;
+	double az;	double bz;	double cz;
+
+	/* Cartesian representation of reciprocal axes */
+	double axs;	double bxs;	double cxs;
+	double ays;	double bys;	double cys;
+	double azs;	double bzs;	double czs;
+
+} UnitCell;
+
+extern UnitCell *cell_new(void);
+
+/* Lengths in nm, angles in radians */
+extern UnitCell *cell_new_from_parameters(double a, double b, double c,
+				double alpha, double beta, double gamma);
+
+extern void cell_set_cartesian(UnitCell *cell,
+			double ax, double ay, double az,
+			double bx, double by, double bz,
+			double cx, double cy, double cz);
+
+extern void cell_set_parameters(UnitCell *cell, double a, double b, double c,
+				double alpha, double beta, double gamma);
+
+#endif	/* CELL_H */