Write units to matml

Author: Mohamed Koubaa

src/ansys/materials/manager/_models/_common/constant.py

@@ -20,7 +20,9 @@
 # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
 # SOFTWARE.
 
-from typing import Any, List, Tuple
+from typing import Any, List, Optional, Tuple, Union
+
+from ansys.units import Quantity
 
 from ansys.materials.manager._models._common._base import _BaseModel, _FluentCore, _MapdlCore
 from ansys.materials.manager._models._common._exceptions import ModelValidationException
@@ -43,8 +45,9 @@ class Constant(_BaseModel):
     applicable_packages: SupportedPackage.MAPDL | SupportedPackage.FLUENT
     _name: str
     _value: float
+    _unit: Optional[str]
 
-    def __init__(self, name: str, value: float) -> None:
+    def __init__(self, name: str, value: Union[float, Quantity]) -> None:
         """
         Create a constant property value.
 
@@ -55,11 +58,16 @@ def __init__(self, name: str, value: float) -> None:
         ----------
         name: str
             Name of the property to model as a constant.
-        value: float
-            Value of the constant property.
+        value: Union[float, Quantity]
+            Value of the constant property or a quantity if a unit is attached
         """
         self._name = name
-        self._value = value
+        if isinstance(value, float):
+            self._value = value
+            self._unit = None
+        elif isinstance(value, Quantity):
+            self._value = value.value
+            self._unit = value.unit
 
     @property
     def name(self) -> str:
@@ -75,6 +83,22 @@ def value(self) -> float:
     def value(self, value: float) -> None:
         self._value = value
 
+    @property
+    def unit(self) -> Optional[str]:
+        """Optional unit of the constant."""
+        return self._unit
+
+    @unit.setter
+    def unit(self, value: Optional[str]) -> None:
+        self._unit = value
+
+    def __repr__(self) -> str:
+        """Get the string representation of the constant."""
+        unit = self.unit
+        if unit is None:
+            return f"Constant('{self.name}', {self.value})"
+        return f"Constant('{self.name}', {self.value}, '{self.unit}')"
+
     def write_model(self, material: "Material", pyansys_session: Any) -> None:
         """
         Write this model to MAPDL.

src/ansys/materials/manager/_models/_matml/property_info.py

@@ -0,0 +1,84 @@
+# Copyright (C) 2022 - 2025 ANSYS, Inc. and/or its affiliates.
+# SPDX-License-Identifier: MIT
+#
+#
+# Permission is hereby granted, free of charge, to any person obtaining a copy
+# of this software and associated documentation files (the "Software"), to deal
+# in the Software without restriction, including without limitation the rights
+# to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+# copies of the Software, and to permit persons to whom the Software is
+# furnished to do so, subject to the following conditions:
+#
+# The above copyright notice and this permission notice shall be included in all
+# copies or substantial portions of the Software.
+#
+# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+# AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+# OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+# SOFTWARE.
+
+from dataclasses import dataclass
+from typing import Dict, Optional
+
+
+@dataclass
+class PropertyInfo:
+    """MatML property information."""
+
+    """The unit category of the material property.
+
+    For unitless properties, this will be None
+    For properties with units, this can be defined but is not strictly necessary.
+    """
+    unit_category: Optional[str]
+
+
+property_infos: Dict[str, PropertyInfo] = {
+    "young's modulus x direction": PropertyInfo("Stress"),
+    "young's modulus y direction": PropertyInfo("Stress"),
+    "young's modulus z direction": PropertyInfo("Stress"),
+    "secant thermal expansion coefficient x direction": PropertyInfo(None),
+    "secant thermal expansion coefficient y direction": PropertyInfo(None),
+    "secant thermal expansion coefficient z direction": PropertyInfo(None),
+    "instantaneous thermal expansion coefficient x direction": PropertyInfo(None),
+    "instantaneous thermal expansion coefficient y direction": PropertyInfo(None),
+    "instantaneous thermal expansion coefficient z direction": PropertyInfo(None),
+    "strain reference temperature": PropertyInfo("Temperature"),
+    "poisson's ratio xy": PropertyInfo(None),
+    "poisson's ratio yz": PropertyInfo(None),
+    "poisson's ratio xz": PropertyInfo(None),
+    "shear modulus xy": PropertyInfo("Stress"),
+    "shear modulus yz": PropertyInfo("Stress"),
+    "shear modulus xz": PropertyInfo("Stress"),
+    "coefficient of friction": PropertyInfo(None),
+    "density": PropertyInfo("Density"),
+    "specific heat capacity": PropertyInfo("Specific Heat Capacity"),
+    "enthalpy": PropertyInfo("MAPDL Enthalpy"),
+    "thermal conductivity x direction": PropertyInfo("Thermal Conductivity"),
+    "thermal conductivity y direction": PropertyInfo("Thermal Conductivity"),
+    "thermal conductivity z direction": PropertyInfo("Thermal Conductivity"),
+    "convection coefficient": PropertyInfo(None),
+    "emissivity": PropertyInfo(None),
+    "heat generation rate": PropertyInfo(None),
+    "viscosity": PropertyInfo("Dynamic Viscosity"),
+    "speed of sound": PropertyInfo("Velocity"),
+    "electrical resistivity x direction": PropertyInfo("Electrical Resistivity"),
+    "electrical resistivity y direction": PropertyInfo("Electrical Resistivity"),
+    "electrical resistivity z direction": PropertyInfo("Electrical Resistivity"),
+    "electric relative permittivity x direction": PropertyInfo(None),
+    "electric relative permittivity y direction": PropertyInfo(None),
+    "electric relative permittivity z direction": PropertyInfo(None),
+    "magnetic relative permeability x direction": PropertyInfo(None),
+    "magnetic relative permeability y direction": PropertyInfo(None),
+    "magnetic relative permeability z direction": PropertyInfo(None),
+    "magnetic coercive force x direction": PropertyInfo(None),
+    "magnetic coercive force y direction": PropertyInfo(None),
+    "magnetic coercive force z direction": PropertyInfo(None),
+    "dielectric loss tangent": PropertyInfo(None),
+    "seebeck coefficient x direction": PropertyInfo(None),
+    "seebeck coefficient y direction": PropertyInfo(None),
+    "seebeck coefficient z direction": PropertyInfo(None),
+}

src/ansys/materials/manager/util/matml/matml_from_material.py

@@ -22,18 +22,29 @@
 
 """Provides the ``MatmlWriter`` class."""
 
+from dataclasses import dataclass
 import os
 from typing import BinaryIO, Dict, Optional, Sequence, Union
 import xml.etree.ElementTree as ET
 
+import ansys.units
+
+from ansys.materials.manager._models._matml.property_info import (
+    property_infos as matml_property_infos,
+)
 from ansys.materials.manager.material import Material
 
 from .matml_parser import (
     BULKDATA_KEY,
     MATERIALS_ELEMENT_KEY,
     MATML_DOC_KEY,
     METADATA_KEY,
+    NAME_ATTR,
+    NAME_KEY,
+    POWER_ATTR,
+    UNIT_KEY,
     UNITLESS_KEY,
+    UNITS_KEY,
     WBTRANSFER_KEY,
 )
 from .matml_property_map import MATML_PROPERTY_MAP
@@ -45,6 +56,19 @@
 VERSION_DATE = "29.08.2016 15:02:00"
 
 
+@dataclass
+class MetadataParameter:
+    """Name of the parameter, for example pa74."""
+
+    name: str
+
+    """The material model name."""
+    model_name: str
+
+    """The parameter value unit."""
+    unit: Optional[str]
+
+
 class MatmlWriter:
     """
     Exports a list of MAPDL materials to an engineering data XML file.
@@ -57,7 +81,7 @@ class MatmlWriter:
 
     _materials: Sequence[Material]
     _metadata_property_sets: Dict
-    _metadata_parameters: Dict
+    _metadata_parameters: Dict[str, MetadataParameter]
 
     def __init__(self, materials: Sequence[Material]):
         """Construct a Matml writer."""
@@ -68,18 +92,22 @@ def __init__(self, materials: Sequence[Material]):
     def _add_parameters(self, property_element: ET.Element, material: Material, parameters: Dict):
         # add the parameters of a property set to the tree
         for mat_key, matml_key in parameters.items():
+            model = material.get_model_by_name(mat_key)
+            assert len(model) == 1
+            model = model[0]
+
             if matml_key in self._metadata_parameters.keys():
                 para_key = self._metadata_parameters[matml_key]
             else:
                 index = len(self._metadata_parameters) + 1
-                para_key = f"pa{index}"
+                para_key = MetadataParameter(f"pa{index}", model.name, model.unit)
                 self._metadata_parameters[matml_key] = para_key
 
             param_element = ET.SubElement(
-                property_element, "ParameterValue", {"format": "float", "parameter": para_key}
+                property_element, "ParameterValue", {"format": "float", "parameter": para_key.name}
             )
             data_element = ET.SubElement(param_element, "Data")
-            data_element.text = str(material.get_model_by_name(mat_key)[0].value)
+            data_element.text = str(model.value)
             qualifier_element = ET.SubElement(param_element, "Qualifier", {"name": "Variable Type"})
             qualifier_element.text = "Dependent"
 
@@ -95,6 +123,7 @@ def _add_property_set(
         # check if at least one parameter is specified (case-insensitive)
         # and build a map from material to Matml properties
         available_mat_properties = [model.name.lower() for model in material.models]
+        # print(available_mat_properties)
         property_set_parameters = {item: item for item in parameter_map["properties"]}
         for key, mapped_properties in parameter_map["mappings"].items():
             property_set_parameters.update({item: key for item in mapped_properties})
@@ -157,7 +186,53 @@ def _add_materials(self, materials_element: ET.Element):
                         behavior,
                     )
 
+    def _write_unit(self, prop_element: ET.Element, value: MetadataParameter):
+        """Write unit in one of the following valid forms.
+
+        If there is a unit:
+          <Units name="Density">
+            <Unit>
+              <Name>kg</Name>
+            </Unit>
+            <Unit power="-3">
+              <Name>m</Name>
+            </Unit>
+          </Units>
+
+        If there is a unit for a property with no unit category defined:
+           <Units>
+            <Unit>
+              <Name>kg</Name>
+            </Unit>
+            <Unit power="-3">
+              <Name>m</Name>
+            </Unit>
+          </Units>
+        If there is no unit:
+          <Unitless />
+        """
+        if value.unit is None:
+            ET.SubElement(prop_element, UNITLESS_KEY)
+        else:
+            unit_tokens = value.unit.split(" ")
+            matml_property_info = matml_property_infos[value.model_name]
+            unit_category = matml_property_info.unit_category
+            unit_name_dict = {}
+            if unit_category is not None:
+                unit_name_dict[NAME_ATTR] = unit_category
+            units_element = ET.SubElement(prop_element, UNITS_KEY, unit_name_dict)
+            for unit_token in unit_tokens:
+                _, term, exp = ansys.units.unit._filter_unit_term(unit_token)
+                power = int(exp)
+                power_dict = {}
+                if power != 1:
+                    power_dict[POWER_ATTR] = str(power)
+                unit_element = ET.SubElement(units_element, UNIT_KEY, power_dict)
+                unit_name_element = ET.SubElement(unit_element, NAME_KEY)
+                unit_name_element.text = term
+
     def _add_metadata(self, metadata_element: ET.Element):
+
         # add the metadata to the XML tree
         for key, value in self._metadata_property_sets.items():
             prop_element = ET.SubElement(metadata_element, "PropertyDetails", {"id": value})
@@ -166,23 +241,32 @@ def _add_metadata(self, metadata_element: ET.Element):
             name_element.text = key
 
         for key, value in self._metadata_parameters.items():
-            prop_element = ET.SubElement(metadata_element, "ParameterDetails", {"id": value})
-            ET.SubElement(prop_element, UNITLESS_KEY)
+            prop_element = ET.SubElement(metadata_element, "ParameterDetails", {"id": value.name})
+
             name_element = ET.SubElement(prop_element, "Name")
             name_element.text = key
 
+            self._write_unit(prop_element, value)
+
     def _add_transfer_ids(self, root: ET.Element) -> None:
         # add the WB transfer IDs to the XML tree
         wb_transfer_element = ET.SubElement(root, WBTRANSFER_KEY)
         materials_element = ET.SubElement(wb_transfer_element, MATERIALS_ELEMENT_KEY)
+        any_uuid = False
         for mat in self._materials:
-            mat_element = ET.SubElement(materials_element, "Material")
-            name_element = ET.SubElement(mat_element, "Name")
-            name_element.text = mat.name
-            transfer_element = ET.SubElement(mat_element, "DataTransferID")
-            transfer_element.text = mat.uuid
-
-    def _to_etree(self) -> ET.ElementTree:
+            if len(mat.uuid) > 0:
+                any_uuid = True
+                mat_element = ET.SubElement(materials_element, "Material")
+                name_element = ET.SubElement(mat_element, "Name")
+                name_element.text = mat.name
+                transfer_element = ET.SubElement(mat_element, "DataTransferID")
+                transfer_element.text = mat.uuid
+        if not any_uuid:
+            root.remove(wb_transfer_element)
+
+    def _to_etree(
+        self,
+    ) -> ET.ElementTree:
         root = ET.Element(ROOT_ELEMENT)
         tree = ET.ElementTree(root)
 

src/ansys/materials/manager/util/matml/matml_parser.py

@@ -34,6 +34,11 @@
 MATML_DOC_KEY = "MatML_Doc"
 METADATA_KEY = "Metadata"
 BULKDATA_KEY = "BulkDetails"
+NAME_ATTR = "name"
+NAME_KEY = "Name"
+POWER_ATTR = "power"
+UNIT_KEY = "Unit"
+UNITS_KEY = "Units"
 UNITLESS_KEY = "Unitless"
 BEHAVIOR_KEY = "Behavior"
 WBTRANSFER_KEY = "ANSYSWBTransferData"