improvements!

lib/damask_tools.py

@@ -10,10 +10,11 @@ class DAMASK_TOOLS():
     else:
       return True       
 
-
 class MATERIAL_CONFIG():
   __slots__ = ['data']
 
+  
+
   def __init__(self):
     self.parts = [
              'homogenization',
@@ -21,7 +22,7 @@ class MATERIAL_CONFIG():
              'crystallite',
              'phase',
              'texture',
-            ]
+            ]                                       # ordered (!) list of parts
     self.data = {\
               'homogenization': {'__order__': []},
               'microstructure': {'__order__': []},
@@ -33,18 +34,18 @@ class MATERIAL_CONFIG():
   def __repr__(self):
     me = []
     for part in self.parts:
+      print 'doing',part
       me += ['','#-----------------------------#','<%s>'%part,'#-----------------------------#',]
       for section in self.data[part]['__order__']:
-        me += ['','[%s]\t\t#-----------------------'%section,'',]
+        me += ['','[%s] %s'%(section,'-'*max(0,27-len(section))),'',]
         for key in self.data[part][section]['__order__']:
           if key.startswith('(') and key.endswith(')'):                       # multiple (key)
             me += ['%s\t%s'%(key,' '.join(values)) for values in self.data[part][section][key]]
           else:                                                               # plain key
-            me += ['%s\t%s'%(key,' '.join(self.data[part][section][key]))]
+            me += ['%s\t%s'%(key,' '.join(map(str,self.data[part][section][key])))]
           
     return '\n'.join(me)
 
-
   def parse_data(self, part=None, sections=[], content=None):
 
     re_part = re.compile(r'^<(.+)>$')                     # pattern for part
@@ -92,22 +93,30 @@ class MATERIAL_CONFIG():
        if os.path.exists(file):
          i=1
          while os.path.exists(file+'_%i'%i):i+=1
-         file=file+'_%i'%i
+         file+='_%i'%i
      print('Writing material data to file %s'%file)
      f=open(file,'w')
      f.write(str(self))
      f.close()
-                  
+      
+
+  def add_data(self, part=None, section=None, data={}):
+    if part not in self.parts: raise Exception('invalid part %s'%part)
+    if section not in self.data[part]: self.data[part]['__order__'] += [section]
+    self.data[part][section] = data
+    
+    
   def add_homogenization(self, label='', type='', Ngrains=None):
-      old_len=len(self.data['homogenization'])
-      if type is 'isostrain':
-          h={'type':[type]}
-          h['Ngrains']=[Ngrains]
-          h['__order__']=['type','Ngrains']
-          #return h
-          self.data['homogenization'][label]=h
-          if len(self.data['homogenization'])>old_len: # added new label
-            self.data['homogenization']['__order__'].append(label)
+      if type.lower() == 'isostrain':
+          self.add_data(part='homogenization',
+                        section=label,
+                        data={'type':[type],
+                              'Ngrains':[Ngrains],
+                              '__order__':['type','Ngrains']
+                             }
+                       )
+      elif type.lower() == 'rgc':
+          raise Exception('Please implement me')
       
   def add_crystallite(self, label='', output=[]):
       old_len=len(self.data['crystallite'])
@@ -118,7 +127,7 @@ class MATERIAL_CONFIG():
   def add_texture(self, label='',type='', eulers=[], scatter=0., fraction=1.):
       ''' Experimental! Needs expansion to multi-component textures...''' 
       old_len=len(self.data['texture'])
-      if type is '(gauss)':
+      if type == '(gauss)':
           gauss={type:[['phi1',eulers[0],'Phi',eulers[1], 'phi2',eulers[2],'scatter',scatter,          'fraction',fraction]],'__order__':label}
           self.data['texture'][label]=gauss
           if len(self.data['texture'])>old_len: # added new label
@@ -130,16 +139,13 @@ class MATERIAL_CONFIG():
           OR
           -phase is dict with one key
       '''
-      import copy
       print(file,label,phase)
       old_len=len(self.data['phase'])
       if file and label and (phase is None):
-        data_so_far = copy.deepcopy(self.data)
-        self.__init__()
-        self.read(file=file)
-        phase={label:self.data['phase'][label]}
+        other=MATERIAL_CONFIG()
+        other.read(file=file)
+        phase={label:other.data['phase'][label]}
         label=None
-        self.data=copy.deepcopy(data_so_far)
         print phase
       if len(phase)==1 and label is None:
         print('Adding phase %s'%phase.keys()[0])
@@ -150,8 +156,8 @@ class MATERIAL_CONFIG():
       else: 
         raise Exception('Wrong arguments')
 
-  def add_microstructure(self, crystallite=None, 
-                               label=None, 
+  def add_microstructure(self, label=None,
+                               crystallite=None, 
                                phases=None, 
                                textures=None, 
                                fractions=None):
@@ -169,11 +175,7 @@ class MATERIAL_CONFIG():
                '__order__':['crystallite','(constituent)']}
     if len(self.data['microstructure'])>old_len: # added new label           
       self.data['microstructure']['__order__'].append(label)
-    
-class HOMOGENIZATION():
-  def __init__(self):
-    pass
-   
+