fixed bug with atomic positions

parser/parser-exciting/exciting_parser_input.py

-import xml.sax
-import logging
-
-class InputHandler(xml.sax.handler.ContentHandler):
-    def __init__(self, backend):
-        self.backend = backend
-        self.inputSectionGIndex = -1
-        self.inInput = False
-
-    def endDocument(self):
-        pass
-
-    def startElement(self, name, attrs):
-        if name == "structure":
-            self.inputSectionGIndex = self.backend.openSection("section_system")
-            self.inInput = True
-        elif name == "atom" and self.inInput:
-            g = attrs.getValue('coord')
-#            print ("coord=", g)
-#            self.backend.addValue("atom_positions",float(attrs.getValue('coord')))
-#            self.backend.addValue("x_exciting_dos_energy",float(attrs.getValue('e')))
-        # attrDict={}
-        # for name in attrs.getNames():
-        #     attrDict[name] = attrs.getValue(name)
-        # logging.error("start element %s attr %s", name, attrDict)
-
-    def endElement(self, name):
-        if name == 'structure':
-            self.inInput = False
-            self.backend.closeSection("section_system",self.inputSectionGIndex)
-            self.inputSectionGIndex = -1
-        # logging.error("end element %s", name)
-
-#    def startElementNS(self, name, qname, attrs):
-#        attrDict={}
-#        for name in attrs.getNames():
-#            attrDict[name] = attrs.getValue(name)
-#        logging.error("start element %s ns %s attr %s", name, qname, attrDict)
-
-#    def endElementNS(self, name, qname):
-#        logging.error("end element %s ns %s", name, qname)
-
-#    def characters(self, content):
-#        pass
-
-def parseInput(inF, backend):
-    handler = InputHandler(backend)
-    logging.error("will parse")
-    xml.sax.parse(inF, handler)
-    logging.error("did parse")