From a0a8c6218d027dd4b8b877cd9941a55fc6b4de65 Mon Sep 17 00:00:00 2001
From: Thomas White <taw@bitwiz.org.uk>
Date: Wed, 4 Mar 2009 23:22:32 +0000
Subject: Add a unit test program

---
 .gitignore |  2 ++
 Makefile   |  7 +++++--
 crystal.c  |  4 ++--
 crystal.h  |  3 +++
 test.c     | 33 +++++++++++++++++++++++++++++++++
 5 files changed, 45 insertions(+), 4 deletions(-)
 create mode 100644 test.c

diff --git a/.gitignore b/.gitignore
index 6003c91..bd54b70 100644
--- a/.gitignore
+++ b/.gitignore
@@ -1,2 +1,4 @@
 *.o
 triclinator
+test
+
diff --git a/Makefile b/Makefile
index 3878741..b83eec3 100644
--- a/Makefile
+++ b/Makefile
@@ -1,5 +1,8 @@
 triclinator: main.o crystal.o util.o
-	gcc main.o crystal.o util.o -o triclinator -lgsl -lgslcblas
+	gcc main.o crystal.o util.o -o triclinator -lgsl -lgslcblas -lm
+
+test: test.o crystal.o util.o
+	gcc test.o crystal.o util.o -o test -lm
 
 main.o:	main.c
 	gcc -g -c -I/usr/include main.c -o main.o
@@ -11,6 +14,6 @@ util.o: util.c
 	gcc -g -c -I/usr/include util.c -o util.o
 
 clean:
-	rm -f triclinator main.o crystal.o util.o
+	rm -f triclinator test main.o crystal.o util.o test.o
 
 .PHONY: clean
diff --git a/crystal.c b/crystal.c
index 065236a..cd6ef8a 100644
--- a/crystal.c
+++ b/crystal.c
@@ -65,7 +65,7 @@ static double volume(Cell cell)
 }
 
 
-static double dspacing(Cell cell, double h, double k, double l)
+double dspacing(Cell cell, double h, double k, double l)
 {
 	double sum_S_terms, one_over_Vsq, one_over_LHS;
 
@@ -80,7 +80,7 @@ static double dspacing(Cell cell, double h, double k, double l)
 }
 
 
-static double plane_angle(Cell cell, double h1, double k1, double l1,
+double plane_angle(Cell cell, double h1, double k1, double l1,
 				   double h2, double k2, double l2)
 {
 	double sum_S_terms, d1, d2, dd_over_Vsq;
diff --git a/crystal.h b/crystal.h
index 5c38da8..21dc5c8 100644
--- a/crystal.h
+++ b/crystal.h
@@ -29,5 +29,8 @@ typedef struct
 
 /* Return what the measurement 'val' would have been if the cell were 'cell' */
 extern double crystal_calc(MVal val, Cell cell);
+extern double dspacing(Cell cell, double h, double k, double l);
+extern double plane_angle(Cell cell, double h1, double k1, double l1,
+				   double h2, double k2, double l2);
 
 #endif	/* CRYSTAL_H */
diff --git a/test.c b/test.c
new file mode 100644
index 0000000..b807681
--- /dev/null
+++ b/test.c
@@ -0,0 +1,33 @@
+/*
+ * test.c
+ *
+ * Unit tests
+ *
+ * (c) 2009 Thomas White <taw27@cam.ac.uk>
+ *
+ * Triclinator - solve nasty triclinic unit cells
+ *
+ */
+
+
+#include <stdlib.h>
+#include <stdio.h>
+#include <math.h>
+
+#include "crystal.h"
+
+int main(void)
+{
+	Cell cell;
+
+	cell.a = 1.0;
+	cell.b = 1.0;
+	cell.c = 1.0;
+	cell.al = DEG2RAD(90.0);
+	cell.be = DEG2RAD(120.0);
+	cell.ga = DEG2RAD(90.0);
+
+	printf("%8.5f deg\n", RAD2DEG(plane_angle(cell, 0, 0, 1,  0, 1, 0)));
+
+	return 0;
+}
-- 
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