Flexiable recorder/parser functions added to SmartParser, Stream RTF, PAR,...

Flexiable recorder/parser functions added to SmartParser, Stream RTF, PAR, CRD, COOR readers and force field parameters with ParmEd support added to MDDataAccess, resetting support added to MetaInfoStorage.

common/python/nomadcore/metainfo_storage/MetaInfoStorage.py

@@ -159,6 +159,19 @@ class Container(object):
                 else:
                     self.accumulateValues(self, arg)
 
+    def reset(self, *args):
+        for arg in args:
+            if isinstance(arg, dict):
+                if arg["startSection"]:
+                    if self.Name in arg["startSection"]:
+                        self.resetValues(self, arg)
+                    else:
+                        if self.Containers:
+                            for module in self.Containers:
+                                module.reset(arg)
+                else:
+                    self.resetValues(self, arg)
+
     def updateBackend(self, backend, startsection=None, autoopenclose=False):
         if startsection:
             if self.Name == startsection:
@@ -247,6 +260,16 @@ class Container(object):
                 if "muteSections" in arg:
                     if self.Name in arg["muteSections"]:
                         self.Active = False
+                        
+    def resetValues(self, *args):
+        for arg in args:
+            if isinstance(arg, dict):
+                if self.Storage:
+                    self.resetAllValues()
+                if self.Containers:
+                    for module in self.Containers:
+                        module.resetValues(arg)
+                self.Active = False
 
     def checkUpdateValue(self, item, localdict):
         """ Updating value with the rules given in depends
@@ -605,6 +628,13 @@ class Container(object):
                     newValue = itemv["unitconverter"](self, itemv)
                     self.Storage.__dict__[itemk["val"]] = newvalue
 
+    def resetAllValues(self):
+        for itemk in self.Storage.__dict__:
+            self.Storage.__dict__[itemk]["val"] = None
+            self.Storage.__dict__[itemk]["stor"] = False
+            self.Storage.__dict__[itemk]["act"] = False
+            self.Active = False
+
     def __str__(self, caller=None, decorate='', color=None, printactive=None, onlynames=None):
         string = ''
         if onlynames is None: