diff build_mods_loc.py @ 2:cf0d72c7b482 draft

Update.
author galaxyp
date Fri, 10 May 2013 17:31:05 -0400
parents
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/build_mods_loc.py	Fri May 10 17:31:05 2013 -0400
@@ -0,0 +1,23 @@
+#!/usr/bin/env python
+
+import xml.etree.ElementTree as ET
+
+tree = ET.parse('unimod.xml')
+ns = '{http://www.unimod.org/xmlns/schema/unimod_2}'
+modifications_el = tree.getroot().find('%smodifications' % ns)
+
+
+def to_label(title, site):
+    return "%s (%s)" % (title, site)
+
+
+labels = []
+for mod in modifications_el.findall('%smod' % ns):
+    for specificity in mod.findall('%sspecificity' % ns):
+        title = mod.get('title')
+        site = specificity.get('site')
+        labels.append(to_label(title, site))
+
+with open("openms_mods.loc", "w") as output:
+    for mod in sorted(labels, key=str.lower):
+        output.write("%s\n" % mod)