From 7d0973929be8086954359f614a7da7dea6c549c7 Mon Sep 17 00:00:00 2001
From: Thomas White <taw@physics.org>
Date: Thu, 3 Jun 2010 16:43:22 +0200
Subject: Configure PDB filename for get_hkl and pattern_sim

---
 src/sfac.c | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

(limited to 'src/sfac.c')

diff --git a/src/sfac.c b/src/sfac.c
index 62c1e76e..aa7b3bf6 100644
--- a/src/sfac.c
+++ b/src/sfac.c
@@ -311,7 +311,7 @@ static void centre_molecule(struct molecule *mol)
 
 /* Load PDB file into a memory format suitable for efficient(ish) structure
  * factor calculation */
-struct molecule *load_molecule()
+struct molecule *load_molecule(const char *filename)
 {
 	struct molecule *mol;
 	FILE *fh;
@@ -327,7 +327,7 @@ struct molecule *load_molecule()
 	mol->reflections = NULL;
 	mol->cell = NULL;
 
-	fh = fopen("molecule.pdb", "r");
+	fh = fopen(filename, "r");
 	if ( fh == NULL ) {
                 ERROR("Couldn't open PDB file\n");
                 return NULL;
-- 
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