update to use variable-length strings

python/damask/_result.py

@@ -470,7 +470,8 @@ class Result:
     def get_crystal_structure(self):                                                                # ToDo: extension to multi constituents/phase
         """Info about the crystal structure."""
         with h5py.File(self.fname,'r') as f:
-            return f[self.get_dataset_location('orientation')[0]].attrs['Lattice'].astype('str')    # np.bytes_ to string
+            return f[self.get_dataset_location('O')[0]].attrs['Lattice'] if h5py3 else \
+                   f[self.get_dataset_location('O')[0]].attrs['Lattice'].decode()
 
 
     def enable_user_function(self,func):

python/tests/reference/Result/material.yaml

@@ -0,0 +1,103 @@
+---
+homogenization:
+  SX:
+    N_constituents: 1
+    mech: {type: none}
+
+phase:
+  pheno_fcc:
+    elasticity: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
+    generic:
+      output: [F, P, F_e, F_p, L_p, O]
+    lattice: fcc
+    plasticity:
+      N_sl: [12]
+      a_sl: 2.25
+      atol_xi: 1.0
+      dot_gamma_0_sl: 0.001
+      h_0_sl_sl: 75e6
+      h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4]
+      n_sl: 20
+      output: [xi_sl]
+      type: phenopowerlaw
+      xi_0_sl: [31e6]
+      xi_inf_sl: [63e6]
+  pheno_bcc:
+    elasticity: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
+    generic:
+      output: [F, P, F_e, F_p, L_p, O]
+    lattice: bcc
+    plasticity:
+      N_sl: [12]
+      a_sl: 2.25
+      atol_xi: 1.0
+      dot_gamma_0_sl: 0.001
+      h_0_sl_sl: 75e6
+      h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4]
+      n_sl: 20
+      output: [xi_sl]
+      type: phenopowerlaw
+      xi_0_sl: [31e6]
+      xi_inf_sl: [63e6]
+
+material:
+  - constituents:
+      - fraction: 1.0
+        O: [0.8229200444892315, 0.5284940239127993, -0.11958598847729246, 0.17086795611292308]
+        phase: pheno_fcc
+    homogenization: SX
+  - constituents:
+      - fraction: 1.0
+        O: [0.029934934533052786, -0.0463822071939717, 0.9983440440417412, 0.01617900728410769]
+        phase: pheno_fcc
+    homogenization: SX
+  - constituents:
+      - fraction: 1.0
+        O: [0.5285808688806949, 0.7326575088838098, 0.4051997815944012, 0.1401013087924221]
+        phase: pheno_fcc
+    homogenization: SX
+  - constituents:
+      - fraction: 1.0
+        O: [0.1839974517790312, 0.49550065903084944, -0.1541415483910751, -0.8347840545305227]
+        phase: pheno_fcc
+    homogenization: SX
+  - constituents:
+      - fraction: 1.0
+        O: [0.8055693100147384, -0.22778497057116814, -0.028331746016454287, 0.5462320075864553]
+        phase: pheno_fcc
+    homogenization: SX
+  - constituents:
+      - fraction: 1.0
+        O: [0.8025842700117737, -0.33640019337884963, -0.3847408071640489, 0.3076815085881779]
+        phase: pheno_fcc
+    homogenization: SX
+  - constituents:
+      - fraction: 1.0
+        O: [0.6048933483394416, 0.7565005822419409, -0.08545681892422426, -0.2334695661144201]
+        phase: pheno_bcc
+    homogenization: SX
+  - constituents:
+      - fraction: 1.0
+        O: [0.2012339360745425, -0.3580127491130033, -0.7798091137625135, 0.47247171400774884]
+        phase: pheno_bcc
+    homogenization: SX
+  - constituents:
+      - fraction: 1.0
+        O: [0.7949688202267222, 0.3623793306926909, -0.18836147613310203, -0.4485819321629098]
+        phase: pheno_bcc
+    homogenization: SX
+  - constituents:
+      - fraction: 1.0
+        O: [0.19733162113429173, -0.06559103894055797, -0.40230149937129567, 0.8915781236183501]
+        phase: pheno_bcc
+    homogenization: SX
+  - constituents:
+      - fraction: 1.0
+        O: [0.8659916384140512, -0.2761459420825848, 0.38479354764225004, -0.1604238964779258]
+        phase: pheno_bcc
+    homogenization: SX
+  - constituents:
+      - fraction: 1.0
+        O: [0.5951846978175659, 0.4476701545571293, -0.6038886363266418, -0.2840160613735736]
+        phase: pheno_bcc
+    homogenization: SX

python/tests/reference/Result/tensionY.load

@@ -1 +1,14 @@
-fdot * 0 0 0 1.0e-3 0  0 0 *  stress  0 * *   * * *   * * 0  time 20  incs 40 freq 4
+---
+
+step:
+  - discretization:
+      t: 20
+      N: 40
+      f_out: 4
+    mech:
+      dot_F: [x, 0,      0,
+              0, 1.0e-3, 0,
+              0, 0,      x]
+      P: [0, x, x,
+          x, x, x,
+          x, x, 0]

python/tests/test_Result.py

@@ -94,11 +94,11 @@ class TestResult:
             default.pick('invalid',True)
 
     def test_add_absolute(self,default):
-        default.add_absolute('Fe')
+        default.add_absolute('F_e')
-        loc = {'Fe':   default.get_dataset_location('Fe'),
+        loc = {'F_e':   default.get_dataset_location('F_e'),
-               '|Fe|': default.get_dataset_location('|Fe|')}
+               '|F_e|': default.get_dataset_location('|F_e|')}
-        in_memory = np.abs(default.read_dataset(loc['Fe'],0))
+        in_memory = np.abs(default.read_dataset(loc['F_e'],0))
-        in_file   = default.read_dataset(loc['|Fe|'],0)
+        in_file   = default.read_dataset(loc['|F_e|'],0)
         assert np.allclose(in_memory,in_file)
 
     @pytest.mark.parametrize('mode',['direct','function'])
@@ -168,8 +168,8 @@ class TestResult:
 
     @pytest.mark.parametrize('d',[[1,0,0],[0,1,0],[0,0,1]])
     def test_add_IPF_color(self,default,d):
-        default.add_IPF_color('orientation',d)
+        default.add_IPF_color('O',d)
-        loc = {'orientation': default.get_dataset_location('orientation'),
+        loc = {'orientation': default.get_dataset_location('O'),
                'color':       default.get_dataset_location('IPFcolor_[{} {} {}]'.format(*d))}
         qu = default.read_dataset(loc['orientation']).view(np.double).reshape(-1,4)
         crystal_structure = default.get_crystal_structure()
@@ -231,8 +231,8 @@ class TestResult:
     @pytest.mark.parametrize('polar',[True,False])
     def test_add_pole(self,default,polar):
         pole = np.array([1.,0.,0.])
-        default.add_pole('orientation',pole,polar)
+        default.add_pole('O',pole,polar)
-        loc = {'orientation': default.get_dataset_location('orientation'),
+        loc = {'orientation': default.get_dataset_location('O'),
                'pole':        default.get_dataset_location('p^{}_[1 0 0)'.format(u'rφ' if polar else 'xy'))}
         rot = Rotation(default.read_dataset(loc['orientation']).view(np.double))
         rotated_pole = rot * np.broadcast_to(pole,rot.shape+(3,))

src/HDF5_utilities.f90

@@ -305,7 +305,7 @@ subroutine HDF5_addAttribute_str(loc_id,attrLabel,attrValue,path)
     p = '.'
   endif
 
-  attrValue_ = attrValue//C_NULL_CHAR
+  attrValue_ = trim(attrValue)//C_NULL_CHAR
   ptr(1) = c_loc(attrValue_)
 
   call h5screate_f(H5S_SCALAR_F,space_id,hdferr)

src/crystallite.f90

@@ -736,7 +736,8 @@ subroutine crystallite_results
   integer :: p,o
   real(pReal),    allocatable, dimension(:,:,:) :: selected_tensors
   type(rotation), allocatable, dimension(:)     :: selected_rotations
-  character(len=pStringLen)                     :: group,structureLabel
+  character(len=pStringLen)                     :: group
+  character(len=:),allocatable                  :: structureLabel
 
   do p=1,size(material_name_phase)
     group = trim('current/constituent')//'/'//trim(material_name_phase(p))//'/generic'