fix array lengths when same thing is parsed multiple times

parser/parser-siesta/parser.py

@@ -29,16 +29,20 @@ def siesta_energy(title, meta, **kwargs):
 
 
 def ArraySM(header, row, build, **kwargs):
-    lines = []
 
-    def addrow(parser):
-        line = parser.fIn.readline()
-        lines.append(line)
+    class LineBuf:
+        def __init__(self):
+            self.lines = []
 
-    def _build_array(parser):
-        build(parser.backend.superBackend, lines)
+        def addrow(self, parser):
+            line = parser.fIn.readline()
+            self.lines.append(line)
 
+        def _build_array(self, parser):
+            build(parser.backend.superBackend, self.lines)
+            self.lines = []
 
+    linebuf = LineBuf()
     sm = SM(header,
             name=kwargs.pop('name', 'startarray'),
             required=True,
@@ -46,8 +50,8 @@ def ArraySM(header, row, build, **kwargs):
             subMatchers=[
                 SM(row, name='array', repeats=True,
                    forwardMatch=True,
-                   adHoc=addrow, required=True),
-                SM(r'', endReStr='', adHoc=_build_array, name='endarray',
+                   adHoc=linebuf.addrow, required=True),
+                SM(r'', endReStr='', adHoc=linebuf._build_array, name='endarray',
                    forwardMatch=True)
             ],
             **kwargs)
@@ -184,6 +188,13 @@ infoFileDescription = SM(
                        r'\s*[0-9]+\s+\S+\s+\S+\s+\S+',
                        get_forces, name='forces-in-opt-step'),
                SM(r'Target enthalpy', name='end-singleconfig'),
+               # As we get past the last singleconfig, we need to add all the stuff
+               # that pertains only to the last one, basically eigs and occs.
+               # Therefore we read a bit past the last config and try to trigger
+               # this as appropriate.
+               #SM(r'outcoor: Relaxed atomic coordinates',
+               #   adHoc=read_eigenvalues),
+               #])
                SM(r'', weak=True, name='After singleconfigs',
                   subFlags=SM.SubFlags.Sequenced,
                   subMatchers=[
@@ -222,7 +233,7 @@ infoFileDescription = SM(
                    # The purpose of the following matcher is to parse all lines
                       SM(r'x^', name='end')
                   ])
-           ]),
+           ])
     ])
 
 class SiestaContext(object):