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Incorporate comments from ANL meeting, remove reset property from tally_header.F90
This commit is contained in:
Shikhar Kumar
parent
f43131f325
commit
cfbf0af96c
3 changed files with 98 additions and 45 deletions
135
openmc/cmfd.py
135
openmc/cmfd.py
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@ -16,7 +16,6 @@ from xml.etree import ElementTree as ET
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import sys
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import numpy as np
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import openmc.capi
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from openmc.exceptions import AllocationError
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from openmc.clean_xml import clean_xml_indentation
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from openmc.checkvalue import (check_type, check_length, check_value,
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@ -376,6 +375,45 @@ class CMFD(object):
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@cmfd_mesh.setter
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def cmfd_mesh(self, mesh):
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check_type('CMFD mesh', mesh, CMFDMesh)
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# Check dimension defined
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if mesh.dimension is None:
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raise ValueError('CMFD mesh requires spatial '
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'dimensions to be specified')
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# Check lower left defined
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if mesh.lower_left is None:
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raise ValueError('CMFD mesh requires lower left coordinates '
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'to be specified')
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# Check that both upper right and width both not defined
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if mesh.upper_right is not None and mesh.width is not None:
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raise ValueError('Both upper right coordinates and width '
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'cannot be specified for CMFD mesh')
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# Check that at least one of width or upper right is defined
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if mesh.upper_right is None and mesh.width is None:
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raise ValueError('CMFD mesh requires either upper right '
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'coordinates or width to be specified')
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# Check width and lower length are same dimension and define upper_right
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if mesh.width is not None:
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check_length('CMFD mesh width', mesh.width, len(mesh.lower_left))
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mesh.upper_right = np.array(mesh.lower_left) + \
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np.array(mesh.width) * np.array(mesh.dimension)
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# Check upper_right and lower length are same dimension and define width
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elif mesh.upper_right is not None:
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check_length('CMFD mesh upper right', mesh.upper_right, \
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len(mesh.lower_left))
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# Check upper right coordinates are greater than lower left
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if np.any(np.array(mesh.upper_right) <= np.array(mesh.lower_left)):
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raise ValueError('CMFD mesh requires upper right '
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'coordinates to be greater than lower '
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'left coordinates')
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mesh.width = np.true_divide(
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(np.array(mesh.upper_right) - np.array(mesh.lower_left)), \
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np.array(mesh.dimension))
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self._cmfd_mesh = mesh
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@norm.setter
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@ -418,86 +456,87 @@ class CMFD(object):
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check_type('CMFD write matrices', write_matrices, bool)
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self._write_matrices = write_matrices
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# TODO: Remove
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def _create_begin_subelement(self):
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if self._begin is not None:
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element = ET.SubElement(self._cmfd_file, "begin")
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element.text = str(self._begin)
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# TODO: Remove
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def _create_dhat_reset_subelement(self):
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if self._dhat_reset is not None:
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element = ET.SubElement(self._cmfd_file, "dhat_reset")
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element.text = str(self._dhat_reset).lower()
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# TODO: Remove
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def _create_display_subelement(self):
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if self._display is not None:
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element = ET.SubElement(self._cmfd_file, "display")
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element.text = str(self._display)
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# TODO: Remove
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def _create_downscatter_subelement(self):
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if self._downscatter is not None:
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element = ET.SubElement(self._cmfd_file, "downscatter")
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element.text = str(self._downscatter).lower()
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# TODO: Remove
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def _create_feedback_subelement(self):
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if self._feedback is not None:
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element = ET.SubElement(self._cmfd_file, "feeback")
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element.text = str(self._feedback).lower()
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# TODO: Remove
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def _create_gauss_seidel_tolerance_subelement(self):
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if self._gauss_seidel_tolerance is not None:
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element = ET.SubElement(self._cmfd_file, "gauss_seidel_tolerance")
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element.text = ' '.join(map(str, self._gauss_seidel_tolerance))
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# TODO: Remove
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def _create_ktol_subelement(self):
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if self._ktol is not None:
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element = ET.SubElement(self._ktol, "ktol")
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element.text = str(self._ktol)
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# TODO: Remove
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def _create_mesh_subelement(self):
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if self._cmfd_mesh is not None:
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xml_element = self._cmfd_mesh._get_xml_element()
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self._cmfd_file.append(xml_element)
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# TODO: Remove
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def _create_norm_subelement(self):
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if self._norm is not None:
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element = ET.SubElement(self._cmfd_file, "norm")
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element.text = str(self._norm)
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# TODO: Remove
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def _create_power_monitor_subelement(self):
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if self._power_monitor is not None:
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element = ET.SubElement(self._cmfd_file, "power_monitor")
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element.text = str(self._power_monitor).lower()
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# TODO: Remove
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def _create_run_adjoint_subelement(self):
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if self._run_adjoint is not None:
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element = ET.SubElement(self._cmfd_file, "run_adjoint")
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element.text = str(self._run_adjoint).lower()
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# TODO: Remove
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def _create_shift_subelement(self):
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if self._shift is not None:
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element = ET.SubElement(self._shift, "shift")
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element.text = str(self._shift)
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# TODO: Remove
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def _create_spectral_subelement(self):
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if self._spectral is not None:
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element = ET.SubElement(self._spectral, "spectral")
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element.text = str(self._spectral)
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# TODO: Remove
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def _create_stol_subelement(self):
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if self._stol is not None:
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element = ET.SubElement(self._stol, "stol")
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element.text = str(self._stol)
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# TODO: Remove
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def _create_tally_reset_subelement(self):
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if self._tally_reset is not None:
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element = ET.SubElement(self._tally_reset, "tally_reset")
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element.text = ' '.join(map(str, self._tally_reset))
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# TODO: Remove
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def _create_write_matrices_subelement(self):
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if self._write_matrices is not None:
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element = ET.SubElement(self._cmfd_file, "write_matrices")
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element.text = str(self._write_matrices).lower()
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# TODO: Remove
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def export_to_xml(self):
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"""Create a cmfd.xml file using the class data that can be used for an OpenMC
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simulation.
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@ -552,6 +591,18 @@ class CMFDRun(object):
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call time_cmfdsolve % reset()
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3) cmfd_adjoint_type input parameter, either set to 'physical' or 'math' - see cmfd_solver.F90
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Notes:
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-cmfd_run needs to be false if run from this class, ow call using cmfd.xml and set cmfd_run to true in settings.xml
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-things run out of order, does not change results but will fix this in future PR when more funcs avail through Capillarity
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-combine CMFD and CMFDRun class?
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-Did not replicate: m % type = MESH_REGULAR (all meshes are regular for now)
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-Did not replicate: m % n_dimension = n (Keep track through CMFD mesh dimension)
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-Did not replicate: m % volume_frac = ONE/real(product(m % dimension),8) (can calculate if needed)
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-Did not replicate: Set reset property (Never used in simulation)
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-Import methods from CMFD into CMFDRun for error checking - will remove CMFD class altogether, left for now if xml files needed
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Attributes
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@ -565,10 +616,14 @@ class CMFDRun(object):
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cmfd_atoli: Absolute GS tolerance, set by gauss_seidel_tolerance
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cmfd_rtoli: Relative GS tolerance, set by gauss_seidel_tolerance
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cmfd_mesh_id: Mesh id of openmc.capi.Mesh object that corresponds to the CMFD mesh
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cmfd_filter_ids: list of ids corresponding to CMFD filters (details:)
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cmfd_tally_ids: list of ids corresponding to CMFD tallies (details:)
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energy_filters: Boolean that stores whether energy filters should be created or not.
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Set to true if user specifies energy grid in CMFDMesh, false otherwise
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TODO: Put descriptions for all methods in CMFDRun
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TODO All timing variables
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TODO: add tally type and tally estimator to CAPI
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"""
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@ -603,12 +658,10 @@ class CMFDRun(object):
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self._cmfd_atoli = None
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self._cmfd_rtoli = None
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self._cmfd_mesh_id = None
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self._cmfd_filter_ids = None
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self._cmfd_tally_ids = None
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self._energy_filters = None
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# TODO All timing variables
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@property
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def cmfd_begin(self):
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return self._cmfd_begin
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@ -719,23 +772,23 @@ class CMFDRun(object):
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# Check dimension defined
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if mesh.dimension is None:
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raise AllocationError('CMFD mesh requires spatial '
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'dimensions to be specified')
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raise ValueError('CMFD mesh requires spatial '
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'dimensions to be specified')
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# Check lower left defined
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if mesh.lower_left is None:
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raise AllocationError('CMFD mesh requires lower left coordinates '
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'to be specified')
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raise ValueError('CMFD mesh requires lower left coordinates '
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'to be specified')
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# Check that both upper right and width both not defined
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if mesh.upper_right is not None and mesh.width is not None:
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raise AllocationError('Both upper right coordinates and width '
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'cannot be specified for CMFD mesh')
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raise ValueError('Both upper right coordinates and width '
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'cannot be specified for CMFD mesh')
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# Check that at least one of width or upper right is defined
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if mesh.upper_right is None and mesh.width is None:
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raise AllocationError('CMFD mesh requires either upper right '
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'coordinates or width to be specified')
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raise ValueError('CMFD mesh requires either upper right '
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'coordinates or width to be specified')
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# Check width and lower length are same dimension and define upper_right
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if mesh.width is not None:
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@ -749,9 +802,9 @@ class CMFDRun(object):
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len(mesh.lower_left))
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# Check upper right coordinates are greater than lower left
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if np.any(np.array(mesh.upper_right) <= np.array(mesh.lower_left)):
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raise AllocationError('CMFD mesh requires upper right '
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'coordinates to be greater than lower '
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'left coordinates')
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raise ValueError('CMFD mesh requires upper right '
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'coordinates to be greater than lower '
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'left coordinates')
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mesh.width = np.true_divide(
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(np.array(mesh.upper_right) - np.array(mesh.lower_left)), \
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np.array(mesh.dimension))
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@ -806,17 +859,16 @@ class CMFDRun(object):
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openmc.capi.finalize()
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def _configure_cmfd(self):
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# TODO Tell user
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# print('Configuring CMFD parameters for simulation')
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print('Configuring CMFD parameters for simulation')
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# Check if CMFD mesh is defined
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if self._cmfd_mesh is None:
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raise AllocationError('No CMFD mesh has been specified for '
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raise ValueError('No CMFD mesh has been specified for '
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'simulation')
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# Set spatial dimensions of CMFD object
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# Iterate through each element of self._cmfd_mesh.dimension as could be
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# length 2 or 3
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# Iterate through each element of self._cmfd_mesh.dimension
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# as could be length 2 or 3
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for i, n in enumerate(self._cmfd_mesh.dimension):
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self._indices[i] = n
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@ -869,10 +921,12 @@ class CMFDRun(object):
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upper_right=self._cmfd_mesh.upper_right,
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width=self._cmfd_mesh.width)
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self._cmfd_filter_ids = []
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# Create Mesh Filter object, stored internally
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mesh_filter = openmc.capi.MeshFilter()
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# Set mesh for Mesh Filter
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mesh_filter.mesh = cmfd_mesh
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self._cmfd_filter_ids.append(mesh_filter.id)
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# Set up energy filters, if applicable
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if self._energy_filters:
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@ -880,27 +934,34 @@ class CMFDRun(object):
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energy_filter = openmc.capi.EnergyFilter()
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# Set bins for Energy Filter
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energy_filter.bins = self._egrid
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self._cmfd_filter_ids.append(energy_filter.id)
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# Create Energy Out Filter object, stored internally
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energyout_filter = openmc.capi.EnergyoutFilter()
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# Set bins for Energy Filter
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energyout_filter.bins = self._egrid
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self._cmfd_filter_ids.append(energyout_filter.id)
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# Create Mesh Surface Filter object, stored internally
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meshsurface_filter = openmc.capi.MeshSurfaceFilter()
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# Set mesh for Mesh Surface Filter
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meshsurface_filter.mesh = cmfd_mesh
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self._cmfd_filter_ids.append(meshsurface_filter.id)
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# Create Legendre Filter object, stored internally
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legendre_filter = openmc.capi.LegendreFilter()
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# Set order for Legendre Filter
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legendre_filter.order = 1
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self._cmfd_filter_ids.append(legendre_filter.id)
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# Create CMFD tallies, stored internally
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n_tallies = 4
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self._cmfd_tally_ids = []
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for i in range(n_tallies):
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tally = openmc.capi.Tally()
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# Set nuclide bins
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tally.nuclides = ['total']
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self._cmfd_tally_ids.append(tally.id)
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# Set attributes of CMFD flux, total tally
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if i == 0:
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@ -438,11 +438,6 @@ contains
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! Point t to tally variable
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associate (t => cmfd_tallies(i) % obj)
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! Set reset property
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if (check_for_node(root, "reset")) then
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call get_node_value(root, "reset", t % reset)
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end if
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! Set the incoming energy mesh filter index in the tally find_filter
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! array
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n_filter = 1
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@ -85,9 +85,6 @@ module tally_header
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integer :: total_score_bins
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real(C_DOUBLE), allocatable :: results(:,:,:)
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! reset property - allows a tally to be reset after every batch
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logical :: reset = .false.
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! Number of realizations of tally random variables
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integer :: n_realizations = 0
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