From cec863e72ad15da7553ef813f8fcc6c08dd292f8 Mon Sep 17 00:00:00 2001
From: Thomas White <taw@physics.org>
Date: Wed, 10 Oct 2012 17:42:33 +0200
Subject: Tie off loose ends

This whole idea is rubbish.  There's no way to communicate the setting information
via the H-M spacegroup symbol in this way, except in a few circumstances.
See ITA (2005) section 4.3.

This simplifies matters a lot.  There's no need for any extra parsing, because
the "_uaX" system is sufficient, and is the best that can be done without
inventing a whole new system for point group symbols.
---
 libcrystfel/src/symmetry.c | 49 +++++++++++++++++-----------------------------
 tests/symmetry_check.c     |  9 +++------
 2 files changed, 21 insertions(+), 37 deletions(-)

diff --git a/libcrystfel/src/symmetry.c b/libcrystfel/src/symmetry.c
index a6713f1f..5ea22e98 100644
--- a/libcrystfel/src/symmetry.c
+++ b/libcrystfel/src/symmetry.c
@@ -892,7 +892,7 @@ static SymOpList *make_m3barm()
 }
 
 
-static SymOpList *getpg_old(const char *sym)
+static SymOpList *getpg_uac(const char *sym)
 {
 	/* Triclinic */
 	if ( strcmp(sym, "-1") == 0 ) return make_1bar();
@@ -971,7 +971,7 @@ static int char_count(const char *a, char b)
 }
 
 
-static SymOpList *getpg_old_ua(const char *sym, size_t s)
+static SymOpList *getpg_arbitrary_ua(const char *sym, size_t s)
 {
 	char ua;
 	char *pg_type;
@@ -990,7 +990,7 @@ static SymOpList *getpg_old_ua(const char *sym, size_t s)
 		return NULL;
 	}
 
-	pg = getpg_old(pg_type);
+	pg = getpg_uac(pg_type);
 	if ( pg == NULL ) {
 		ERROR("Unrecognised point group type '%s'\n",
 		      pg_type);
@@ -1043,46 +1043,33 @@ static SymOpList *getpg_old_ua(const char *sym, size_t s)
  **/
 SymOpList *get_pointgroup(const char *sym)
 {
-	int n_space, n_underscore;
+	int n_underscore;
 
-	n_space = char_count(sym, ' ');
 	n_underscore = char_count(sym, '_');
 
-	if ( n_space == 0 ) {
+	/* No spaces nor underscores -> old system */
+	if ( n_underscore == 0 ) return getpg_uac(sym);
 
-		/* No spaces nor underscores -> old system */
-		if ( n_underscore == 0 ) return getpg_old(sym);
+	/* No spaces and 1 underscore -> old system + lattice or UA */
+	if ( n_underscore == 1 ) {
 
-		/* No spaces and 1 underscore -> old system + lattice or UA */
-		if ( n_underscore == 1 ) {
+		const char *s;
 
-			const char *s;
-
-			s = strchr(sym, '_');
-			assert(s != NULL);
-			s++;
-
-			/* Old system with H/R lattice? */
-			if ( (s[0] == 'H') || (s[0] == 'R') ) {
-				return getpg_old(sym);
-			}
-
-			/* Old system with unique axis */
-			return getpg_old_ua(sym, s-sym);
+		s = strchr(sym, '_');
+		assert(s != NULL);
+		s++;
 
+		/* Old system with H/R lattice? */
+		if ( (s[0] == 'H') || (s[0] == 'R') ) {
+			return getpg_uac(sym);
 		}
 
-	}
+		/* Old system with unique axis */
+		return getpg_arbitrary_ua(sym, s-sym);
 
-	if ( n_space > 4 ) {
-		ERROR("Unrecognised point group '%s'\n", sym);
-		return NULL;
 	}
 
-	/* 1-4 spaces -> new system, possibly with UA and/or lattice */
-
-	/* FIXME: Implementation */
-
+	ERROR("Unrecognised point group '%s'\n", sym);
 	return NULL;
 }
 
diff --git a/tests/symmetry_check.c b/tests/symmetry_check.c
index 648814d0..cfc68f08 100644
--- a/tests/symmetry_check.c
+++ b/tests/symmetry_check.c
@@ -403,12 +403,9 @@ int main(int argc, char *argv[])
 	check_pg_props( "4/m_uaa", 8, 1, &fail);
 	check_pg_props( "4/m_uab", 8, 1, &fail);
 	check_pg_props( "4/m_uac", 8, 1, &fail);
-
-	/* Check "new style" parsing */
-	STATUS("\nNew style:\n");
-	check_pg_props( "2 1 1", 2, 0, &fail);
-	check_pg_props( "1 2 1", 2, 0, &fail);
-	check_pg_props( "1 1 2", 2, 0, &fail);
+	check_pg_props( "23_uaa", 12, 0, &fail);
+	check_pg_props( "23_uab", 12, 0, &fail);
+	check_pg_props( "23_uac", 12, 0, &fail);
 
 	return fail;
 }
-- 
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