changed header in seeds file from 'x,y,z' to '1..3_coords'.

scripts now use the header information and do not rely on coordinates being in the first three columns

examples/SpectralMethod/20grains.seeds

@@ -1,8 +1,8 @@
 4 header
-resolution a       16 b       16 c       16
-grains       20
+grid  a 16    b 16    c 16
+microstructures       20
 random seed        0
-x y z phi1 Phi phi2
+1_coords   2_coords   3_coords phi1        Phi       phi2
 0.375488   0.161813   0.891040 197.572861  16.816409 129.422844
 0.187988   0.849313   0.953540 257.468172  53.250534 157.331503
 0.750488   0.349313   0.953540 216.994815  94.418518 251.147231

processing/pre/geom_fromVoronoiTessellation.py

@@ -105,26 +105,20 @@ for file in files:
   table = damask.ASCIItable(file['input'],file['output'],buffered = False)
   table.head_read()
 
-  labels = ['x','y','z']
-  index = 0
+  coordsCol = table.labels_index('1_coords')
+  if coordsCol < 0: 
+    coordsCol = table.labels_index('x')                                                            # try if file is in legacy format
+    if coordsCol < 0: 
+      file['croak'].write('column 1_coords/x not found...\n')
+      continue
 
   eulerCol = table.labels_index('phi1')
   hasEulers = np.all(table.labels_index(['phi1','Phi','phi2'])) != -1
   grainCol = table.labels_index('microstructure')
   hasGrains = grainCol != -1
 
-  if hasEulers:
-    labels += ['phi1','Phi','phi2']
-    index += 3
-
-
-  if hasGrains:
-    labels += ['microstructure']
-    index += 1
-
-
-  table.data_readArray(labels)
-  coords = table.data[:,0:3]
+  table.data_readArray()
+  coords = table.data[:,coordsCol:coordsCol+3]
   eulers = table.data[:,eulerCol:eulerCol+3] if hasEulers else np.zeros(3*len(coords))
   grain = table.data[:,grainCol] if hasGrains else 1+np.arange(len(eulers))
   grainIDs = np.unique(grain).astype('i')
@@ -185,8 +179,8 @@ for file in files:
     continue
 
 #--- prepare data ---------------------------------------------------------------------------------
-  coords = (coords*info['size']).transpose()
-  eulers = eulers.transpose()
+  coords = (coords*info['size']).T
+  eulers = eulers.T
 
 #--- switch according to task ---------------------------------------------------------------------
   if options.config:                                                                                # write config file

processing/pre/seeds_check.py

@@ -61,17 +61,18 @@ for file in files:
   table = damask.ASCIItable(file['input'],file['output'])
   table.head_read()
 
-  labels = ['x','y','z']
+  coordsCol = table.labels_index('1_coords')
+  if coordsCol < 0: 
+    coordsCol = table.labels_index('x')                                                            # try if file is in legacy format
+    if coordsCol < 0: 
+      file['croak'].write('column 1_coords/x not found...\n')
+      continue
+
   grainCol = table.labels_index('microstructure')
   hasGrains = grainCol != -1
 
-  if hasGrains:
-    labels += ['microstructure']
-
-
-  table.data_readArray(labels)
-  coords = table.data[:,0:3]
-
+  table.data_readArray()
+  coords = table.data[:,coordsCol:coordsCol+3]
   grain = table.data[:,grainCol] if hasGrains else 1+np.arange(len(coords))
   grainIDs = np.unique(grain).astype('i')
   

processing/pre/seeds_fromGeom.py

@@ -136,7 +136,7 @@ for file in files:
                    "origin\tx %i\ty %i\tz %i"%(info['origin'][0],info['origin'][1],info['origin'][2],),
                   ]
   table.labels_clear()
-  table.labels_append(['x','y','z','microstructure'])                                  # implicitly switching label processing/writing on
+  table.labels_append(['1_coords','2_coords','3_coords','microstructure'])                    # implicitly switching label processing/writing on
   table.head_write()
   
 #--- filtering of grain voxels ------------------------------------------------------------------------------------

processing/pre/seeds_fromRandom.py

@@ -81,7 +81,7 @@ header = ["5\theader",
           "grid\ta {}\tb {}\tc {}".format(options.grid[0],options.grid[1],options.grid[2]),
           "microstructures\t{}".format(options.N),
           "randomSeed\t{}".format(options.randomSeed),
-          "x\ty\tz\tphi1\tPhi\tphi2",
+          "1_coords\t2_coords\t3_coords\tphi1\tPhi\tphi2",
          ]
 
 for line in header:

processing/pre/seeds_fromTable.py

@@ -144,7 +144,7 @@ for file in files:
                                                                           map(str,boundingBox[1,:]-boundingBox[0,:])))))),
                   ]
   table.labels_clear()
-  table.labels_append(['x','y','z','microstructure'])                                  # implicitly switching label processing/writing on
+  table.labels_append(['1_coords','2_coords','3_coords','microstructure'])                          # implicitly switching label processing/writing on
   table.head_write()
   
   table.data_writeArray()