self-reporting functionality for updating

processing/pre/geom_rescale.py

@@ -1,22 +1,25 @@
 #!/usr/bin/env python3
-# -*- coding: UTF-8 no BOM -*-
 
 import os
 import sys
 from io import StringIO
 from optparse import OptionParser
+
 from scipy import ndimage
+
 import damask
 
+
 scriptName = os.path.splitext(os.path.basename(__file__))[0]
 scriptID   = ' '.join([scriptName,damask.version])
 
+
 #--------------------------------------------------------------------------------------------------
 #                                MAIN
 #--------------------------------------------------------------------------------------------------
 
 parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [geomfile(s)]', description = """
-Scales a geometry description independently in x, y, and z direction in terms of grid and/or size.
+Scales independently in x, y, and z direction in terms of grid and/or size.
 Either absolute values or relative factors (like "0.25x") can be used.
 
 """, version = scriptID)
@@ -24,15 +27,14 @@ Either absolute values or relative factors (like "0.25x") can be used.
 parser.add_option('-g', '--grid',
                   dest = 'grid',
                   type = 'string', nargs = 3, metavar = 'string string string',
-                  help = 'a,b,c grid of hexahedral box [unchanged]')
+                  help = 'a,b,c grid of hexahedral box')
 parser.add_option('-s', '--size',
                   dest = 'size',
                   type = 'string', nargs = 3, metavar = 'string string string',
-                  help = 'x,y,z size of hexahedral box [unchanged]')
+                  help = 'x,y,z size of hexahedral box')
 
 (options, filenames) = parser.parse_args()
 
-# --- loop over input files -------------------------------------------------------------------------
 
 if filenames == []: filenames = [None]
 
@@ -44,28 +46,27 @@ for name in filenames:
     geom = damask.Geom.from_file(virt_file)
   else:
     geom = damask.Geom.from_file(name)
-  microstructure = geom.microstructure
+  damask.util.croak(geom)
+  microstructure = geom.get_microstructure()
 
   scale = geom.get_grid().astype('float')
   if options.grid is not None:
     for i,g in enumerate(options.grid):
-      scale[i] = scale[i]*float(g.lower().replace('x','')) if g.lower().startswith('x') \
+      scale[i] = scale[i]*float(g.lower().replace('x','')) if g.lower().endswith('x') \
             else float(options.grid[i])/scale[i]
   
   size = geom.get_size()
   if options.size is not None:
     for i,s in enumerate(options.size):
-      size[i] = size[i]*float(s.lower().replace('x','')) if s.lower().startswith('x') \
+      size[i] = size[i]*float(s.lower().replace('x','')) if s.lower().endswith('x') \
            else options.size[i]
 
   microstructure = ndimage.interpolation.zoom(microstructure, scale, output=microstructure.dtype,
                                               order=0, mode='nearest', prefilter=False)
 
-  geom.microstructure = microstructure
-  geom.set_size(size)
+  damask.util.croak(geom.update(microstructure,size))
   geom.add_comment(scriptID + ' ' + ' '.join(sys.argv[1:]))
 
-  damask.util.croak(geom)
   if name is None:
     sys.stdout.write(str(geom.show()))
   else:

python/damask/geom.py

@@ -7,12 +7,8 @@ import numpy as np
 class Geom():
   """Geometry definition for grid solvers"""
 
-  def __init__(self,size,microstructure,homogenization=1,comments=[]):
+  def __init__(self,microstructure,size,homogenization=1,comments=[]):
     """New geometry definition from array of microstructures and size"""
-    if len(size) != 3 or any(np.array(size)<=0):
-      raise ValueError('Invalid size {}'.format(*size))
-    else:
-      self.size = np.array(size)
 
     if len(microstructure.shape) != 3:
       raise ValueError('Invalid microstructure shape {}'.format(*microstructure.shape))
@@ -21,6 +17,11 @@ class Geom():
     else:
       self.microstructure = microstructure
     
+    if len(size) != 3 or any(np.array(size)<=0):
+      raise ValueError('Invalid size {}'.format(*size))
+    else:
+      self.size = np.array(size)
+      
     if not isinstance(homogenization,int) or homogenization < 1:
       raise TypeError('Invalid homogenization {}'.format(homogenization))
     else:
@@ -34,11 +35,52 @@ class Geom():
   def __repr__(self):
     """Basic information on geometry definition"""
     return 'grid     a b c:      {}\n'.format(' x '.join(map(str,self.get_grid()))) + \
-           'size     x y z:      {}\n'.format(' x '.join(map(str,self.get_size()))) + \
-           'homogenization:      {}\n'.format(self.get_homogenization())            + \
+           'size     x y z:      {}\n'.format(' x '.join(map(str,self.size)))       + \
+           'homogenization:      {}\n'.format(self.homogenization)                  + \
            '# microstructures:   {}\n'.format(len(np.unique(self.microstructure)))  + \
            'max microstructures: {}\n'.format(np.max(self.microstructure))
 
+
+  def update(self,microstructure=None,size=None,rescale=False):
+    """Updates microstructure and size"""
+    grid_old    = self.get_grid()
+    size_old    = self.size
+    unique_old  = len(np.unique(self.microstructure))
+    max_old     = np.max(self.microstructure)
+    
+    if size is not None and rescale:
+      raise ValueError('Either set size explicitly or rescale automatically')
+
+    if microstructure is not None:
+      if len(microstructure.shape) != 3:
+        raise ValueError('Invalid microstructure shape {}'.format(*microstructure.shape))
+      elif microstructure.dtype not in ['int','float']:
+        raise TypeError('Invalid data type {} for microstructure'.format(microstructure.dtype))
+      else:
+        self.microstructure = microstructure
+    
+    if size is not None:
+      if len(size) != 3 or any(np.array(size)<=0):
+        raise ValueError('Invalid size {}'.format(*size))
+      else:
+        self.size = np.array(size)
+    
+    if rescale:
+      self.size = self.size * self.get_grid()/grid_old
+    
+    message = ''
+    if np.any(grid_old != self.get_grid()):
+      message += 'grid     a b c:      {}\n'.format(' x '.join(map(str,self.get_grid())))
+    if np.any(size_old != self.get_size()):
+      message += 'size     x y z:      {}\n'.format(' x '.join(map(str,self.size)))
+    if unique_old != len(np.unique(self.microstructure)):
+      message += '# microstructures:   {}\n'.format(len(np.unique(self.microstructure)))
+    if max_old != np.max(self.microstructure):
+      message += 'max microstructures: {}\n'.format(np.max(self.microstructure))
+    
+    if message != '': return message
+
+
   def add_comment(self,comment):
     if not isinstance(comment,list):
       self.comments += [str(comment)]
@@ -124,7 +166,7 @@ class Geom():
     else:
       microstructure = microstructure.astype('int')
     
-    return cls(size,microstructure.reshape(grid),homogenization,comments)
+    return cls(microstructure.reshape(grid),size,homogenization,comments)
 
   def to_file(self,fname):
     """Saves to file"""
@@ -132,7 +174,7 @@ class Geom():
     header =  ['{} header'.format(len(self.comments)+3)]
     header += self.comments
     header.append('grid a {} b {} c {}'.format(*grid))
-    header.append('size x {} y {} z {}'.format(*self.get_size()))
+    header.append('size x {} y {} z {}'.format(*self.size))
     header.append('homogenization {}'.format(self.get_homogenization()))
 
     if self.microstructure.dtype == 'int':

python/damask/util.py

@@ -44,7 +44,8 @@ def srepr(arg,glue = '\n'):
 # -----------------------------
 def croak(what, newline = True):
   """Writes formated to stderr"""
-  sys.stderr.write(srepr(what,glue = '\n') + ('\n' if newline else ''))
+  if what is not None:
+    sys.stderr.write(srepr(what,glue = '\n') + ('\n' if newline else ''))
   sys.stderr.flush()
 
 # -----------------------------