Merge pull request #268 from simphony/add-cuba-keyword

Add cuba keyword
simphony · Jan 18, 2016 · 8ed81d9 · 8ed81d9
2 parents 75fa184 + eed3469
commit 8ed81d9
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Showing 5 changed files with 146 additions and 3 deletions.
diff --git a/doc/source/cuba.rst b/doc/source/cuba.rst
@@ -76,4 +76,12 @@ CutoffDistance              Distance where force is no longer taken into account
 EnergyWellDepth             Measurement of how strongly the two particles attract each other.                     []                                                 ENERGY_WELL_DEPTH                    70  [1]      double
 VanDerWaalsRadius           Distance at which the intermolecular potential between the two particles is zero.     []                                                 VAN_DER_WAALS_RADIUS                 71  [1]      double
 DielectricConstant          Ratio of the permittivity of a substance to the permittivity of free space or vacuum  []                                                 DIELECTRIC_CONSTANT                  72  [1]      double
+DynamicPressure             Dynamic pressure                                                                      ['FEM', 'FVM']                                     DYNAMIC_PRESSURE                     73  [1]      double
+Flux                        Flux                                                                                  ['FEM', 'FVM']                                     FLUX                                 74  [1]      double
+HomogenizedStressTensor     Homogenized stress tensor                                                             ['FEM', 'FVM']                                     HOMOGENIZED_STRESS_TENSOR            75  [9]      double
+StrainTensor                Strain tensor                                                                         ['FEM', 'FVM']                                     STRAIN_TENSOR                        76  [9]      double
+RelativeVelocity            Relative velocity                                                                     ['FEM', 'FVM']                                     RELATIVE_VELOCITY                    77  [3]      double
+DiffusionVelocity           Diffusion velocity                                                                    ['FEM', 'FVM']                                     DIFFUSION_VELOCITY                   78  [3]      double
+StressTensor                Stress tensor                                                                         ['FEM', 'FVM']                                     STRESS_TENSOR                        79  [9]      double
+VolumeFractionGradient      Volume fraction gradient                                                              ['FEM', 'FVM']                                     VOLUME_FRACTION_GRADIENT             80  [3]      double
 ==========================  ====================================================================================  =================================================  =============================  ========  =======  =======
diff --git a/simphony/core/cuba.py b/simphony/core/cuba.py
@@ -76,3 +76,11 @@ class CUBA(IntEnum):
     ENERGY_WELL_DEPTH = 70
     VAN_DER_WAALS_RADIUS = 71
     DIELECTRIC_CONSTANT = 72
+    DYNAMIC_PRESSURE = 73
+    FLUX = 74
+    HOMOGENIZED_STRESS_TENSOR = 75
+    STRAIN_TENSOR = 76
+    RELATIVE_VELOCITY = 77
+    DIFFUSION_VELOCITY = 78
+    STRESS_TENSOR = 79
+    VOLUME_FRACTION_GRADIENT = 80
diff --git a/simphony/core/cuba.yml b/simphony/core/cuba.yml
@@ -509,4 +509,59 @@
   number: 72
   shape: [1]
   type: double
-
+- description: Dynamic pressure
+  domain: [FEM, FVM]
+  key: DYNAMIC_PRESSURE
+  name: DynamicPressure
+  number: 73
+  shape: [1]
+  type: double
+- description: Flux
+  domain: [FEM, FVM]
+  key: FLUX
+  name: Flux
+  number: 74
+  shape: [1]
+  type: double
+- description: Homogenized stress tensor
+  domain: [FEM, FVM]
+  key: HOMOGENIZED_STRESS_TENSOR
+  name: HomogenizedStressTensor
+  number: 75
+  shape: [9]
+  type: double
+- description: Strain tensor
+  domain: [FEM, FVM]
+  key: STRAIN_TENSOR
+  name: StrainTensor
+  number: 76
+  shape: [9]
+  type: double
+- description: Relative velocity
+  domain: [FEM, FVM]
+  key: RELATIVE_VELOCITY
+  name: RelativeVelocity
+  number: 77
+  shape: [3]
+  type: double
+- description: Diffusion velocity
+  domain: [FEM, FVM]
+  key: DIFFUSION_VELOCITY
+  name: DiffusionVelocity
+  number: 78
+  shape: [3]
+  type: double
+- description: Stress tensor
+  domain: [FEM, FVM]
+  key: STRESS_TENSOR
+  name: StressTensor
+  number: 79
+  shape: [9]
+  type: double
+- description: Volume fraction gradient
+  domain: [FEM, FVM]
+  key: VOLUME_FRACTION_GRADIENT
+  name: VolumeFractionGradient
+  number: 80
+  shape: [3]
+  type: double
diff --git a/simphony/core/keywords.py b/simphony/core/keywords.py
@@ -595,4 +595,68 @@
         number=72,
         shape=[1],
         dtype=numpy.float64),
+    'DYNAMIC_PRESSURE': Keyword(
+        name='DynamicPressure',
+        description='Dynamic pressure',  # noqa
+        domain=['FEM', 'FVM'],
+        key='DYNAMIC_PRESSURE',
+        number=73,
+        shape=[1],
+        dtype=numpy.float64),
+    'FLUX': Keyword(
+        name='Flux',
+        description='Flux',  # noqa
+        domain=['FEM', 'FVM'],
+        key='FLUX',
+        number=74,
+        shape=[1],
+        dtype=numpy.float64),
+    'HOMOGENIZED_STRESS_TENSOR': Keyword(
+        name='HomogenizedStressTensor',
+        description='Homogenized stress tensor',  # noqa
+        domain=['FEM', 'FVM'],
+        key='HOMOGENIZED_STRESS_TENSOR',
+        number=75,
+        shape=[9],
+        dtype=numpy.float64),
+    'STRAIN_TENSOR': Keyword(
+        name='StrainTensor',
+        description='Strain tensor',  # noqa
+        domain=['FEM', 'FVM'],
+        key='STRAIN_TENSOR',
+        number=76,
+        shape=[9],
+        dtype=numpy.float64),
+    'RELATIVE_VELOCITY': Keyword(
+        name='RelativeVelocity',
+        description='Relative velocity',  # noqa
+        domain=['FEM', 'FVM'],
+        key='RELATIVE_VELOCITY',
+        number=77,
+        shape=[3],
+        dtype=numpy.float64),
+    'DIFFUSION_VELOCITY': Keyword(
+        name='DiffusionVelocity',
+        description='Diffusion velocity',  # noqa
+        domain=['FEM', 'FVM'],
+        key='DIFFUSION_VELOCITY',
+        number=78,
+        shape=[3],
+        dtype=numpy.float64),
+    'STRESS_TENSOR': Keyword(
+        name='StressTensor',
+        description='Stress tensor',  # noqa
+        domain=['FEM', 'FVM'],
+        key='STRESS_TENSOR',
+        number=79,
+        shape=[9],
+        dtype=numpy.float64),
+    'VOLUME_FRACTION_GRADIENT': Keyword(
+        name='VolumeFractionGradient',
+        description='Volume fraction gradient',  # noqa
+        domain=['FEM', 'FVM'],
+        key='VOLUME_FRACTION_GRADIENT',
+        number=80,
+        shape=[3],
+        dtype=numpy.float64),
 }
diff --git a/simphony/io/data_container_description.py b/simphony/io/data_container_description.py
@@ -75,16 +75,24 @@ class Data(tables.IsDescription):
     energy_well_depth = tables.Float64Col(pos=68)
     van_der_waals_radius = tables.Float64Col(pos=69)
     dielectric_constant = tables.Float64Col(pos=70)
+    dynamic_pressure = tables.Float64Col(pos=71)
+    flux = tables.Float64Col(pos=72)
+    homogenized_stress_tensor = tables.Float64Col(pos=73, shape=9)
+    strain_tensor = tables.Float64Col(pos=74, shape=9)
+    relative_velocity = tables.Float64Col(pos=75, shape=3)
+    diffusion_velocity = tables.Float64Col(pos=76, shape=3)
+    stress_tensor = tables.Float64Col(pos=77, shape=9)
+    volume_fraction_gradient = tables.Float64Col(pos=78, shape=3)
 
 
 class Record(tables.IsDescription):
 
     index = tables.StringCol(itemsize=32, pos=0)
     data = Data()
-    mask = tables.BoolCol(pos=1, shape=(71,))
+    mask = tables.BoolCol(pos=1, shape=(79,))
 
 
 class NoUIDRecord(tables.IsDescription):
 
     data = Data()
-    mask = tables.BoolCol(pos=1, shape=(71,))
+    mask = tables.BoolCol(pos=1, shape=(79,))