Mercurial > repos > iuc > icqsol_solve_laplace
changeset 0:2294ae1842d5 draft default tip
Uploaded
| author | iuc |
|---|---|
| date | Tue, 23 Aug 2016 15:04:45 -0400 |
| parents | |
| children | |
| files | icqsol_macros.xml icqsol_solve_laplace.py icqsol_solve_laplace.xml icqsol_utils.py test-data/sphere.vtkbinary test-data/sphere_electric_field.vtkascii |
| diffstat | 6 files changed, 1885 insertions(+), 0 deletions(-) [+] |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/icqsol_macros.xml Tue Aug 23 15:04:45 2016 -0400 @@ -0,0 +1,116 @@ +<?xml version='1.0' encoding='UTF-8'?> +<macros> + <token name="@WRAPPER_VERSION@">1.0</token> + <xml name="requirements"> + <requirements> + <requirement type="package" version="0.3.26">icqsol</requirement> + </requirements> + </xml> + <xml name="stdio"> + <stdio> + <exit_code range="1:"/> + <exit_code range=":-1"/> + <regex match="Error:"/> + <regex match="Exception:"/> + </stdio> + </xml> + <!-- TODO: place this in colormaps_conf.xml --> + <xml name="color_map_param"> + <param name="color_map" type="select" label="Color map"> + <option value="hot" selected="True">Hot</option> + <option value="cold">Cold</option> + <option value="blackbody">Blackbody</option> + <option value="gnu">Gnu</option> + </param> + </xml> + <xml name="output_vtk_type_params"> + <param name="output_vtk_type" type="select" label="Output file type"> + <option value="vtkascii" selected="True">Vtk-ascii</option> + <option value="vtkbinary">Vtk-binary</option> + </param> + </xml> + <token name="@origin_cmd_args@"> + --origin_x $create_process_cond.shape_cond.origin_x + --origin_y $create_process_cond.shape_cond.origin_y + --origin_z $create_process_cond.shape_cond.origin_z + </token> + <xml name="origin_params"> + <param name="origin_x" type="float" value="0.0" label="X coordinate of origin" help="Floating point number"/> + <param name="origin_y" type="float" value="0.0" label="Y coordinate of origin" help="Floating point number"/> + <param name="origin_z" type="float" value="0.0" label="Z coordinate of origin" help="Floating point number"/> + </xml> + <token name="@lengths_cmd_args@"> + --length_x $create_process_cond.shape_cond.length_x + --length_y $create_process_cond.shape_cond.length_y + --length_z $create_process_cond.shape_cond.length_z + </token> + <xml name="lengths_params"> + <!-- At least one of these lengths must be greater than zero, but we have no validator for this. --> + <param name="length_x" type="float" value="1.0" label="Length in the X direction" help="Floating point number"> + <validator type="in_range" min="0" exclude_min="false" /> + </param> + <param name="length_y" type="float" value="0.0" label="Length in the Y direction" help="Floating point number"> + <validator type="in_range" min="0" exclude_min="false" /> + </param> + <param name="length_z" type="float" value="0.0" label="Length in the Z direction" help="Floating point number"> + <validator type="in_range" min="0" exclude_min="false" /> + </param> + </xml> + <xml name="lengths_exclude_min_params"> + <param name="length_x" type="float" value="1.0" label="Length in the X direction" help="Floating point number"> + <validator type="in_range" min="0" exclude_min="true" /> + </param> + <param name="length_y" type="float" value="1.0" label="Length in the Y direction" help="Floating point number"> + <validator type="in_range" min="0" exclude_min="true" /> + </param> + <param name="length_z" type="float" value="1.0" label="Length in the Z direction" help="Floating point number"> + <validator type="in_range" min="0" exclude_min="true" /> + </param> + </xml> + <token name="@radius_cmd_args@"> + --radius $create_process_cond.shape_cond.radius + </token> + <xml name="radius_params"> + <param name="radius" type="float" value="1.0" label="Radius" help="Floating point number"> + <validator type="in_range" min="0" exclude_min="True" /> + </param> + </xml> + <token name="@n_theta_cmd_args@"> + --n_theta $create_process_cond.shape_cond.n_theta + </token> + <xml name="n_theta_params"> + <param name="n_theta" type="integer" value="16" label="Number of slices" help="Controls the tessellation along the longitude direction"> + <validator type="in_range" min="0" exclude_min="False" /> + </param> + </xml> + <token name="@n_phi_cmd_args@"> + --n_phi $create_process_cond.shape_cond.n_phi + </token> + <xml name="n_phi_params"> + <param name="n_phi" type="integer" value="8" label="Number of stacks" help="Controls the tessellation along the latitude direction"> + <validator type="in_range" min="0" exclude_min="False" /> + </param> + </xml> + <xml name="citations"> + <citations> + <citation type="bibtex"> + @unpublished{None, + author = {None}, + title = {None}, + year = {None}, + eprint = {None}, + url = {https://github.com/gregvonkuster/galaxy-csg} + }</citation> + <citation type="bibtex"> + @misc(Schroeder-Martin-Lorensen2006, + author = "Will Schroeder and + Ken Martin and + Bill Lorensen", + year = "2006", + title = "The Visualization Toolkit (4th ed.)", + publisher = "Kitware", + url = "https://en.wikipedia.org/wiki/Special:BookSources/978-1-930934-19-1") + </citation> + </citations> + </xml> +</macros>
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/icqsol_solve_laplace.py Tue Aug 23 15:04:45 2016 -0400 @@ -0,0 +1,51 @@ +#!/usr/bin/env python +import argparse +import shutil + +import icqsol_utils + +# Parse Command Line. +parser = argparse.ArgumentParser() +parser.add_argument('--input', dest='input', help='Shape dataset selected from history') +parser.add_argument('--input_file_format_and_type', dest='input_file_format_and_type', help='Input file format and type') +parser.add_argument('--input_dataset_type', dest='input_dataset_type', help='Input dataset_type') +parser.add_argument('--input_potential_name', dest='input_potential_name', default='', help='Input surface potential field name.') +parser.add_argument('--output_jump_electric_field_name', dest='output_jump_electric_field_name', default='jump_normal_electric_field', help='Set the name of the output field name.') +parser.add_argument('--output', dest='output', help='Output dataset') +parser.add_argument('--output_vtk_type', dest='output_vtk_type', help='Output VTK type') + +args = parser.parse_args() + +input_format, input_file_type = icqsol_utils.get_format_and_type(args.input_file_format_and_type) +tmp_dir = icqsol_utils.get_temp_dir() + +# Instantiate the shape manager. +shape_mgr = icqsol_utils.get_shape_manager(input_format, args.input_dataset_type) + +# Get the vtk polydata from the input dataset. +vtk_poly_data = shape_mgr.loadAsVtkPolyData(args.input) + +# Instantiate the Laplace solver. +solver = icqsol_utils.get_laplace_solver(vtk_poly_data) + +# Set the output field names. +solver.setResponseFieldName(args.output_jump_electric_field_name) + +# In place operation, vtk_poly_data will be modified. +solver.setSourceFieldName(args.input_potential_name) +normalEJump = solver.computeResponseField() +surfIntegral = shape_mgr.integrateSurfaceField(solver.getVtkPolyData(), args.output_jump_electric_field_name) +print 'Surface integral of normal electric field jump: {0}'.format(surfIntegral) +minVal, maxVal = shape_mgr.getFieldRange(solver.getVtkPolyData(), args.output_jump_electric_field_name) +print 'min/max values of normal electric field jump: {0}/{1}'.format(minVal, maxVal) + +# Define the output file format and type (the output_format can only be 'vtk'). +output_format, output_file_type = icqsol_utils.get_format_and_type(args.output_vtk_type) +tmp_output_path = icqsol_utils.get_temporary_file_path(tmp_dir, output_format) + +# Make sure the ShapeManager's writer is vtk. +shape_mgr.setWriter(file_format=icqsol_utils.VTK, vtk_dataset_type=icqsol_utils.POLYDATA) + +# Save the output. +shape_mgr.saveVtkPolyData(vtk_poly_data=solver.getVtkPolyData(), file_name=tmp_output_path, file_type=output_file_type) +shutil.move(tmp_output_path, args.output)
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/icqsol_solve_laplace.xml Tue Aug 23 15:04:45 2016 -0400 @@ -0,0 +1,67 @@ +<?xml version='1.0' encoding='UTF-8'?> +<tool id="icqsol_solve_laplace" name="Solve Laplace equation" version="@WRAPPER_VERSION@.0"> + <description>- computes the jump of normal electric field</description> + <macros> + <import>icqsol_macros.xml</import> + </macros> + <expand macro="requirements" /> + <command> + <![CDATA[ + python $__tool_directory__/icqsol_solve_laplace.py + --input "$input" + --input_file_format_and_type $input.ext + --input_dataset_type $input.metadata.dataset_type + --input_potential_name "$input_potential_name" + --output_jump_electric_field_name "$output_jump_electric_field_name" + --output "$output" + --output_vtk_type $output_vtk_type + ]]> + </command> + <inputs> + <param name="input" type="data" format="vtkascii,vtkbinary" label="Shape" help="Format can be vtkascii or vtkbinary." /> + <param name="input_potential_name" type="select" label="Field name" refresh_on_change="True"> + <options> + <filter type="data_meta" ref="input" key="field_names"/> + <validator type="no_options" message="The selected shape has no surface fields." /> + </options> + </param> + <param name="output_jump_electric_field_name" type="text" value="jumpEn" label="Output flux field name" help="Name of the jump of normal electric field in the output file." /> + <expand macro="output_vtk_type_params" /> + </inputs> + <outputs> + <data name="output" format_source="input"> + <actions> + <action type="format"> + <option type="from_param" name="output_vtk_type" /> + </action> + </actions> + </data> + </outputs> + <tests> + <test> + <param name="input" value="sphere.vtkbinary" ftype="vtkbinary" /> + <param name="input_file_format_and_type" value="vtkbinary" /> + <param name="input_dataset_type" value="POLYDATA" /> + <param name="input_potential_name" value="v" /> + <param name="output_jump_electric_field_name" value="E_normal_jump" /> + <output name="output" file="sphere_electric_field.vtkascii" ftype="vtkascii" /> + <param name="output_vtk_type" value="vtkascii" /> + </test> + </tests> + <help> + +**What it does** + +Computes the jump in flux-like (Neumann) boundary conditions given prescribed Dirichlet boundary +conditions by using the boundary element method. Depending on the problem, the jump can be the +surface flux or the normal electric field in electrostatic problems. The Dirichlet field is often +called the potential (e.g. electrostatic potential). When the domain extends from the object to +infinity and the interior of the object is perfectly conducting, the jump corresponds to the normal +electric field just outside the object. + +* **Shape** - Shape whose surface contains a potential field. +* **Output flux field name** - Name of the jump of normal electric field name in the output file. + + </help> + <expand macro="citations" /> +</tool>
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/icqsol_utils.py Tue Aug 23 15:04:45 2016 -0400 @@ -0,0 +1,86 @@ +import os +import sys +import tempfile + +from icqsol.shapes.icqShapeManager import ShapeManager +from icqsol.bem.icqLaplaceSolver import LaplaceSolver + +PLY = 'ply' +POLYDATA = 'POLYDATA' +VTK = 'vtk' + + +def asbool(val): + return str(val).lower() in ['yes', 'true'] + + +def get_format_and_type(galaxy_ext): + # Define the output file format and type. + format = None + datatype = None + if galaxy_ext in ['vtkascii', 'vtkbinary']: + format = VTK + elif galaxy_ext in ['plyascii', 'plybinary']: + format = PLY + if galaxy_ext in ['vtkascii', 'plyascii']: + datatype = 'ascii' + elif galaxy_ext in ['vtkbinary', 'plybinary']: + datatype = 'binary' + return format, datatype + + +def get_input_file_path(tmp_dir, input_file, format): + """ + iCqSol uses file extensions (e.g., .ply, .vtk) when reading and + writing files, so the Galaxy dataset naming convention of + setting all file extensions as .dat must be handled. + """ + file_path = get_temporary_file_path(tmp_dir, format) + # Remove the file so we can create a symlink. + os.remove(file_path) + os.symlink(input_file, file_path) + return file_path + + +def get_laplace_solver(shape_data, max_edge_length=float('inf')): + return LaplaceSolver(shape_data, max_edge_length=max_edge_length) + + +def get_shape_manager(format=None, dataset_type=None): + # Instantiate a ShapeManager. + return ShapeManager(file_format=format, vtk_dataset_type=dataset_type) + + +def get_temp_dir(prefix='tmp-vtk-', dir=None): + """ + Return a temporary directory. + """ + return tempfile.mkdtemp(prefix=prefix, dir=dir) + + +def get_tempfilename(dir=None, suffix=None): + """ + Return a temporary file name. + """ + if suffix is None: + s = None + elif suffix.startswith('.'): + s = suffix + else: + s = '.%s' % suffix + fd, name = tempfile.mkstemp(suffix=s, dir=dir) + os.close(fd) + return name + + +def get_temporary_file_path(tmp_dir, file_extension): + """ + Return the path to a temporary file with a valid VTK format + file extension. + """ + return get_tempfilename(tmp_dir, file_extension) + + +def stop_err(msg): + sys.stderr.write("%s\n" % msg) + sys.exit()
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/sphere_electric_field.vtkascii Tue Aug 23 15:04:45 2016 -0400 @@ -0,0 +1,1565 @@ +# vtk DataFile Version 4.0 +vtk output +ASCII +DATASET POLYDATA +POINTS 482 float +0 1 0 0.191342 0.980785 0.0380602 0.19509 0.980785 0 +0.37533 0.92388 0.0746578 0.382683 0.92388 0 0.544895 0.83147 0.108386 +0.55557 0.83147 0 0.69352 0.707107 0.13795 0.707107 0.707107 0 +0.815493 0.55557 0.162212 0.83147 0.55557 0 0.906127 0.382683 0.18024 +0.92388 0.382683 0 0.96194 0.19509 0.191342 0.980785 0.19509 0 +0.980785 0 0.19509 1 0 0 0.96194 -0.19509 0.191342 +0.980785 -0.19509 0 0.906127 -0.382683 0.18024 0.92388 -0.382683 0 +0.815493 -0.55557 0.162212 0.83147 -0.55557 0 0.69352 -0.707107 0.13795 +0.707107 -0.707107 0 0.544895 -0.83147 0.108386 0.55557 -0.83147 0 +0.37533 -0.92388 0.0746578 0.382683 -0.92388 0 0.191342 -0.980785 0.0380602 +0.19509 -0.980785 0 0 -1 0 0.18024 0.980785 0.0746578 +0.353553 0.92388 0.146447 0.51328 0.83147 0.212608 0.653282 0.707107 0.270598 +0.768178 0.55557 0.31819 0.853553 0.382683 0.353553 0.906127 0.19509 0.37533 +0.92388 0 0.382683 0.906127 -0.19509 0.37533 0.853553 -0.382683 0.353553 +0.768178 -0.55557 0.31819 0.653282 -0.707107 0.270598 0.51328 -0.83147 0.212608 +0.353553 -0.92388 0.146447 0.18024 -0.980785 0.0746578 0.162212 0.980785 0.108386 +0.31819 0.92388 0.212608 0.46194 0.83147 0.308658 0.587938 0.707107 0.392847 +0.691342 0.55557 0.46194 0.768178 0.382683 0.51328 0.815493 0.19509 0.544895 +0.83147 0 0.55557 0.815493 -0.19509 0.544895 0.768178 -0.382683 0.51328 +0.691342 -0.55557 0.46194 0.587938 -0.707107 0.392847 0.46194 -0.83147 0.308658 +0.31819 -0.92388 0.212608 0.162212 -0.980785 0.108386 0.13795 0.980785 0.13795 +0.270598 0.92388 0.270598 0.392847 0.83147 0.392847 0.5 0.707107 0.5 +0.587938 0.55557 0.587938 0.653282 0.382683 0.653282 0.69352 0.19509 0.69352 +0.707107 0 0.707107 0.69352 -0.19509 0.69352 0.653282 -0.382683 0.653282 +0.587938 -0.55557 0.587938 0.5 -0.707107 0.5 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