Add support to run simulations (#39)

* Update parametric study to run simulations

* Add newline at end of file

* Fix pre-commit checks

* Complete run simulations method

* Enforce unique simulation ids

* Fix pre-commit checks

* Update parameter description

examples/00_additive_single_bead.py

@@ -82,7 +82,7 @@
 # :meth:`plot() <pandas.DataFrame.plot>` method can be used to plot the melt
 # pool dimensions as a function of bead length.
 
-df = summary.melt_pool.data_frame.multiply(1e6)  # convert from meters to microns
+df = summary.melt_pool.data_frame().multiply(1e6)  # convert from meters to microns
 df.index *= 1e3  # convert bead length from meters to millimeters
 
 df.plot(

pyproject.toml

@@ -5,7 +5,7 @@ build-backend = "flit_core.buildapi"
 [project]
 # Check https://flit.readthedocs.io/en/latest/pyproject_toml.html for all available sections
 name = "ansys-additive"
-version = "0.14.0.dev2"
+version = "0.14.0.dev3"
 description = "A python client for the Ansys additive service"
 readme = "README.rst"
 requires-python = ">=3.8"

src/ansys/additive/__init__.py

@@ -34,5 +34,6 @@
 from .microstructure import *
 from .porosity import *
 from .server_utils import *
+from .simulation import *
 from .single_bead import *
 from .thermal_history import *

src/ansys/additive/additive.py

@@ -32,6 +32,7 @@
 from ansys.additive.porosity import PorositySummary
 from ansys.additive.progress_logger import ProgressLogger, ProgressState
 from ansys.additive.server_utils import find_open_port, launch_server
+from ansys.additive.simulation import SimulationError
 from ansys.additive.single_bead import SingleBeadSummary
 from ansys.additive.thermal_history import ThermalHistoryInput, ThermalHistorySummary
 
@@ -219,7 +220,8 @@ def simulate(self, inputs, nproc: typing.Optional[int] = None):
         -------
         A :class:`SingleBeadSummary`, :class:`PorositySummary`,
         :class:`MicrostructureSummary`, :class:`ThermalHistorySummary`,
-        or, if a list of inputs was provided, a list of these summary types.
+        :class:`SimulationError`, or, if a list of inputs was provided,
+        a list of these types.
 
         """
         if type(inputs) is not list:
@@ -257,7 +259,8 @@ def _simulate(self, input, show_progress: bool = False):
         -------
         One of the follow summary objects.
         :class:`SingleBeadSummary`, :class:`PorositySummary`,
-        :class:`MicrostructureSummary`, :class:`ThermalHistorySummary`
+        :class:`MicrostructureSummary`, :class:`ThermalHistorySummary`,
+        :class:`SimulationError`
 
         """
         logger = None
@@ -267,26 +270,30 @@ def _simulate(self, input, show_progress: bool = False):
         if input.material == AdditiveMaterial():
             raise ValueError("Material must be specified")
 
-        request = None
-        if isinstance(input, ThermalHistoryInput):
-            return self._simulate_thermal_history(input, USER_DATA_PATH, logger)
-        else:
-            request = input._to_simulation_request()
-
-        for response in self._simulation_stub.Simulate(request):
-            if response.HasField("progress"):
-                if logger:
-                    logger.log_progress(response.progress)
-                if response.progress.state == ProgressState.PROGRESS_STATE_ERROR:
-                    raise Exception(response.progress.message)
-            if response.HasField("melt_pool"):
-                return SingleBeadSummary(input, response.melt_pool)
-            if response.HasField("porosity_result"):
-                return PorositySummary(input, response.porosity_result)
-            if response.HasField("microstructure_result"):
-                return MicrostructureSummary(
-                    input, response.microstructure_result, self._user_data_path
-                )
+        try:
+            request = None
+            if isinstance(input, ThermalHistoryInput):
+                return self._simulate_thermal_history(input, USER_DATA_PATH, logger)
+            else:
+                request = input._to_simulation_request()
+
+            for response in self._simulation_stub.Simulate(request):
+                if response.HasField("progress"):
+                    if logger:
+                        logger.log_progress(response.progress)
+                    if response.progress.state == ProgressState.PROGRESS_STATE_ERROR:
+                        raise Exception(response.progress.message)
+                if response.HasField("melt_pool"):
+                    return SingleBeadSummary(input, response.melt_pool)
+                if response.HasField("porosity_result"):
+                    return PorositySummary(input, response.porosity_result)
+                if response.HasField("microstructure_result"):
+                    return MicrostructureSummary(
+                        input, response.microstructure_result, self._user_data_path
+                    )
+        except Exception as e:
+            print(f"Error: {e}")
+            return SimulationError(input, str(e))
 
     def get_materials_list(self) -> list[str]:
         """Retrieve a list of material names used in additive simulations.

src/ansys/additive/microstructure.py

@@ -128,6 +128,28 @@ def __repr__(self):
                 repr += k.replace("_", "", 1) + ": " + str(getattr(self, k)) + "\n"
         return repr
 
+    def __eq__(self, __o: object) -> bool:
+        if not isinstance(__o, MicrostructureInput):
+            return False
+        return (
+            self.id == __o.id
+            and self.sample_min_x == __o.sample_min_x
+            and self.sample_min_y == __o.sample_min_y
+            and self.sample_min_z == __o.sample_min_z
+            and self.sample_size_x == __o.sample_size_x
+            and self.sample_size_y == __o.sample_size_y
+            and self.sample_size_z == __o.sample_size_z
+            and self.sensor_dimension == __o.sensor_dimension
+            and self.use_provided_thermal_parameters == __o.use_provided_thermal_parameters
+            and self.cooling_rate == __o.cooling_rate
+            and self.thermal_gradient == __o.thermal_gradient
+            and self.melt_pool_width == __o.melt_pool_width
+            and self.melt_pool_depth == __o.melt_pool_depth
+            and self.random_seed == __o.random_seed
+            and self.machine == __o.machine
+            and self.material == __o.material
+        )
+
     @staticmethod
     def __validate_range(value, min, max, name):
         if value < min or value > max: