Add potential interactions in 4C

meshpy/FourC/__init__.py

@@ -0,0 +1,38 @@
+# -*- coding: utf-8 -*-
+# -----------------------------------------------------------------------------
+# MeshPy: A beam finite element input generator
+#
+# MIT License
+#
+# Copyright (c) 2018-2024
+#     Ivo Steinbrecher
+#     Institute for Mathematics and Computer-Based Simulation
+#     Universitaet der Bundeswehr Muenchen
+#     https://www.unibw.de/imcs-en
+#
+# 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.
+# -----------------------------------------------------------------------------
+"""
+This module defines classes and functions to create a 4C beam input file.
+"""
+
+from .beam_potential import BeamPotential
+
+# Define the items that will be exported by default.
+__all__ = ["BeamPotential"]

meshpy/FourC/beam_potential.py

@@ -0,0 +1,256 @@
+# -*- coding: utf-8 -*-
+# -----------------------------------------------------------------------------
+# MeshPy: A beam finite element input generator
+#
+# MIT License
+#
+# Copyright (c) 2018-2024
+#     Ivo Steinbrecher
+#     Institute for Mathematics and Computer-Based Simulation
+#     Universitaet der Bundeswehr Muenchen
+#     https://www.unibw.de/imcs-en
+#
+# 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.
+# -----------------------------------------------------------------------------
+"""
+This file includes functions to ease the creation of input files using beam
+interaction potentials.
+"""
+
+
+# Python modules
+import numpy as np
+
+# MeshPy modules
+from ..inputfile import InputSection
+from ..header_functions import get_yes_no
+from ..boundary_condition import BoundaryCondition
+
+
+class BeamPotential:
+
+    def __init__(
+        self,
+        input_file,
+        *,
+        pot_law_prefactor=None,
+        pot_law_exponent=None,
+        pot_law_line_charge_density=None,
+        pot_law_line_charge_density_funcs=None,
+    ):
+        """Initialize object to enable beam potential interactions.
+
+        Args
+        ----
+        input_file:
+            Input file of current problem setup.
+        pot_law_prefactors: float, int, np.array, list
+            Prefactors of a potential law in form of a power law. Same number
+            of prefactors and exponents/line charge densities/functions must be
+            provided!
+        pot_law_exponent: float, int, np.array, list
+            Exponents of a potential law in form of a power law. Same number
+            of exponents and prefactors/line charge densities/functions must be
+            provided!
+        pot_law_line_charge_density: float, int, np.array, list
+            Line charge densities of a potential law in form of a power law.
+            Same number of line charge densities and prefactors/exponents/functions
+            must be provided!
+        pot_law_line_charge_density_funcs:
+            Functions for line charge densities of a potential law in form of a
+            power law. Same number of functions and prefactors/exponents/line
+            charge densities must be provided!
+        """
+
+        self.input_file = input_file
+
+        # if only one potential law prefactor/exponent is present, convert it
+        # into a list for simplified usage
+        if isinstance(pot_law_prefactor, (float, int)):
+            pot_law_prefactor = [pot_law_prefactor]
+        if isinstance(pot_law_exponent, (float, int)):
+            pot_law_exponent = [pot_law_exponent]
+        if isinstance(pot_law_line_charge_density, (float, int)):
+            pot_law_line_charge_density = [pot_law_line_charge_density]
+
+        # check if same number of prefactors and exponents are provided
+        if (
+            not len(pot_law_prefactor)
+            == len(pot_law_exponent)
+            == len(pot_law_line_charge_density)
+        ):
+            raise ValueError(
+                "Number of potential law prefactors do not match potential law exponents!"
+            )
+
+        self.pot_law_prefactor = pot_law_prefactor
+        self.pot_law_exponent = pot_law_exponent
+        self.pot_law_line_charge_density = pot_law_line_charge_density
+        self.pot_law_line_charge_density_funcs = pot_law_line_charge_density_funcs
+
+    def add_header(
+        self,
+        *,
+        potential_type="Volume",
+        cutoff_radius=None,
+        evaluation_strategy=None,
+        regularization_type=None,
+        regularization_separation=None,
+        integration_segments=1,
+        gauss_points=10,
+        potential_reduction_length=-1,
+        automatic_differentiation=False,
+        choice_master_slave=None,
+        option_overwrite=False,
+    ):
+        """
+        Set the basic header options for beam potential interactions.
+
+        Args
+        ----
+        potential_type: string
+            Type of applied potential (volume, surface).
+        cutoff_radius: float
+            Neglect all contributions at separation larger than this cutoff
+            radius.
+        evaluation_strategy: string
+            Strategy to evaluate interaction potential.
+        regularization_type: string
+            Type of regularization to use for force law at separations below
+            specified separation (constant_extrapolation, linear_extrapolation).
+        regularization_separation: float
+            Use specified regularization type for separations smaller than
+            this value.
+        integration_segments: int
+            Number of integration segments to be used per beam element.
+        gauss_points: int
+            Number of Gauss points to be used per integration segment.
+        potential_reduction_length: float
+            Potential is smoothly decreased within this length when using the
+            singlelengthsspecific approach to enable an axial pull off force.
+        automatic_differentiation: bool
+            Use automatic differentiation via FAD.
+        choice_master_slave: string
+            Rule how to assign the role of master and slave to beam elements (if
+            applicable) (lower_eleGID_is_slave, higher_eleGID_is_slave).
+        option_overwrite: bool
+            If existing options should be overwritten. If this is false and an
+            option is already defined, and error will be thrown.
+        """
+
+        settings = f"""
+            POT_LAW_PREFACTOR                     {' '.join(map(str, self.pot_law_prefactor))}
+            POT_LAW_EXPONENT                      {' '.join(map(str, self.pot_law_exponent))}
+            BEAMPOTENTIAL_TYPE              {potential_type}
+            CUTOFF_RADIUS                   {cutoff_radius}
+            STRATEGY                        {evaluation_strategy}
+            NUM_INTEGRATION_SEGMENTS        {integration_segments}
+            NUM_GAUSSPOINTS                 {gauss_points}
+            POTENTIAL_REDUCTION_LENGTH      {potential_reduction_length}
+            AUTOMATIC_DIFFERENTIATION       {automatic_differentiation}"""
+
+        if regularization_type is not None:
+            settings.append(
+                f"""
+            REGULARIZATION_TYPE             {regularization_type}
+            REGULARIZATION_SEPARATION       {regularization_separation}"""
+            )
+        if choice_master_slave is not None:
+            settings.append(f"\nCHOICE_MASTER_SLAVE             {choice_master_slave}")
+
+        self.input_file.add(
+            InputSection(
+                "BEAM POTENTIAL",
+                settings,
+                option_overwrite=option_overwrite,
+            )
+        )
+
+    def add_runtime_output(
+        self,
+        *,
+        output_beam_potential=True,
+        interval_steps=1,
+        every_iteration=False,
+        forces=True,
+        moments=True,
+        per_ele_pair=True,
+        option_overwrite=False,
+    ):
+        """
+        Set the basic runtime output options for beam potential interactions.
+
+        Args
+        ----
+        output_beam_potential: bool
+            If the output for beam potential should be written.
+        interval_steps: int
+            Interval at which output is written.
+        every_iteration: bool
+            If output at every Newton iteration should be written.
+        forces: bool
+            If the forces should be written.
+        moments: bool
+            If the moments should be written.
+        per_ele_pair: bool
+            If the forces/moments should be written per element pair.
+        option_overwrite: bool
+            If existing options should be overwritten. If this is false and an
+            option is already defined, and error will be thrown.
+        """
+
+        self.input_file.add(
+            InputSection(
+                "BEAM POTENTIAL/RUNTIME VTK OUTPUT",
+                f"""
+            VTK_OUTPUT_BEAM_POTENTIAL           {get_yes_no(output_beam_potential)}
+            INTERVAL_STEPS                      {get_yes_no(interval_steps)}
+            EVERY_ITERATION                     {get_yes_no(every_iteration)}
+            FORCES                              {get_yes_no(forces)}
+            MOMENTS                             {get_yes_no(moments)}
+            WRITE_FORCE_MOMENT_PER_ELEMENTPAIR  {get_yes_no(per_ele_pair)}""",
+                option_overwrite=option_overwrite,
+            )
+        )
+
+    def add_potential_charge_condition(self, *, geometry_set=None):
+        """Add potential charge condition to geometry.
+
+        Args
+        ----
+        geometry_set:
+            Add potential charge condition to this set.
+        """
+
+        for i, (line_charge, func) in enumerate(
+            zip(
+                self.pot_law_line_charge_density, self.pot_law_line_charge_density_funcs
+            )
+        ):
+
+            if func != "none":
+                self.input_file.add(func)
+
+            bc = BoundaryCondition(
+                geometry_set,
+                f"POTLAW {i+1} VAL {line_charge} FUNCT {str(func)}",
+                bc_type="DESIGN LINE BEAM POTENTIAL CHARGE CONDITIONS",
+            )
+
+            self.input_file.add(bc)

meshpy/utility.py

@@ -328,3 +328,23 @@ def get_min_max_nodes(nodes, *, middle_nodes=False):
                         min_max_nodes.append(node_list[index])
                 geometry[f"{direction}_{text}"] = GeometrySet(min_max_nodes)
     return geometry
+
+
+def find_node_on_plane(node, *, normal=None, origin_distance=None, tol=mpy.eps_pos):
+    """
+    Return the nodes lie on the plane defined by normal and origin_distance.
+
+    Args
+    ----
+    node:
+        Check if this node coincides with the defined plane.
+    normal: np.array, list
+        Normal vector of defined plane.
+    origin_distance: float
+        Distance between origin and defined plane.
+    tol: float
+        Tolerance of evaluation if point coincides with plane
+    """
+    projection = np.dot(node.coordinates, normal) / np.linalg.norm(normal)
+
+    return np.abs(projection - origin_distance) < tol

pyproject.toml

@@ -5,6 +5,7 @@ requires = ["setuptools", "Cython", "numpy", "wheel"]
 [tool.setuptools]
 packages = [
   "meshpy",
+  "meshpy.FourC",
   "meshpy.abaqus",
   "meshpy.geometric_search",
   "meshpy.mesh_creation_functions",