-
Notifications
You must be signed in to change notification settings - Fork 1
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
Merge branch 'next' into ewm6378-fix-full-masking-in-reduction
- Loading branch information
Showing
16 changed files
with
962 additions
and
207 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
149 changes: 149 additions & 0 deletions
149
src/snapred/backend/recipe/algorithm/ConjoinDiagnosticWorkspaces.py
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,149 @@ | ||
| from typing import List | ||
|
|
||
| from mantid.api import MatrixWorkspace, PythonAlgorithm, WorkspaceGroupProperty | ||
| from mantid.dataobjects import TableWorkspace | ||
| from mantid.kernel import Direction, IntPropertyWithValue | ||
| from mantid.simpleapi import ( | ||
| BufferMissingColumnsAlgo, | ||
| CloneWorkspace, | ||
| ConjoinTableWorkspaces, | ||
| ConjoinWorkspaces, | ||
| DeleteWorkspace, | ||
| ExtractSingleSpectrum, | ||
| GroupWorkspaces, | ||
| RenameWorkspace, | ||
| UnGroupWorkspace, | ||
| mtd, | ||
| ) | ||
|
|
||
| from snapred.meta.mantid.FitPeaksOutput import FIT_PEAK_DIAG_SUFFIX | ||
|
|
||
|
|
||
| class ConjoinDiagnosticWorkspaces(PythonAlgorithm): | ||
| """ | ||
| Given the grouped diagnostic output from PDCalibration run on one spectum at a time, | ||
| combine the sub-workspaces in an intelligent way. | ||
| """ | ||
|
|
||
| INPUTGRPPROP1 = "DiagnosticWorkspace" | ||
| OUTPUTGRPPROP = "TotalDiagnosticWorkspace" | ||
|
|
||
| def category(self): | ||
| return "SNAPRed Diffraction Calibration" | ||
|
|
||
| def newNamesFromOld(self, oldNames: List[str], newName: str) -> List[str]: | ||
| selectedNames = set(self.diagnosticSuffix.values()) | ||
| suffixes = [] | ||
| for oldName in oldNames: | ||
| elements = oldName.split("_") | ||
| suffix = next((f"_{x}" for x in elements if f"_{x}" in selectedNames), None) | ||
| if suffix is not None: | ||
| suffixes.append(suffix) | ||
| return [f"{newName}{suffix}" for suffix in suffixes] | ||
|
|
||
| def PyInit(self): | ||
| # declare properties | ||
| self.declareProperty( | ||
| WorkspaceGroupProperty(self.INPUTGRPPROP1, "", direction=Direction.Input), | ||
| doc="Table workspace from peak-fitting diagnosis.", | ||
| ) | ||
| self.declareProperty(IntPropertyWithValue("AddAtIndex", 0)) | ||
| self.declareProperty( | ||
| WorkspaceGroupProperty(self.OUTPUTGRPPROP, "", direction=Direction.Output), | ||
| doc="Result of conjoining the diagnostic workspaces", | ||
| ) | ||
| self.declareProperty("AutoDelete", False) | ||
| self.setRethrows(True) | ||
| # NOTE must be in alphabetical order | ||
| self.diagnosticSuffix = FIT_PEAK_DIAG_SUFFIX.copy() | ||
|
|
||
| def PyExec(self) -> None: | ||
| self.autoDelete = self.getProperty("AutoDelete").value | ||
| index = self.getProperty("AddAtIndex").value | ||
| diag1 = self.getPropertyValue(self.INPUTGRPPROP1) | ||
| outws = self.getPropertyValue(self.OUTPUTGRPPROP) | ||
|
|
||
| # sort by name to pevent bad things from happening | ||
| mtd[diag1].sortByName() | ||
| oldNames = mtd[diag1].getNames() | ||
| newNames = self.newNamesFromOld(oldNames, outws) | ||
|
|
||
| # if the input is expected to autodelete, it must be ungrouped first | ||
| if self.autoDelete: | ||
| UnGroupWorkspace(diag1) | ||
|
|
||
| if index == 0: | ||
| for old, new in zip(oldNames, newNames): | ||
| if self.autoDelete: | ||
| RenameWorkspace( | ||
| InputWorkspace=old, | ||
| OutputWorkspace=new, | ||
| ) | ||
| else: | ||
| CloneWorkspace( | ||
| InputWorkspace=old, | ||
| OutputWorkspace=new, | ||
| ) | ||
| if isinstance(mtd[new], MatrixWorkspace) and index < mtd[new].getNumberHistograms(): | ||
| ExtractSingleSpectrum( | ||
| InputWorkspace=new, | ||
| OutputWorkspace=new, | ||
| WorkspaceIndex=index, | ||
| ) | ||
| GroupWorkspaces( | ||
| InputWorkspaces=newNames, | ||
| OutputWorkspace=outws, | ||
| ) | ||
| else: | ||
| for old, new in zip(oldNames, newNames): | ||
| ws = mtd[old] | ||
| if isinstance(ws, MatrixWorkspace): | ||
| self.conjoinMatrixWorkspaces(old, new, index) | ||
| elif isinstance(ws, TableWorkspace): | ||
| self.conjoinTableWorkspaces(old, new, index) | ||
| else: | ||
| raise RuntimeError(f"Unrecognized workspace type {type(ws)}") | ||
|
|
||
| if self.autoDelete: | ||
| for oldName in oldNames: | ||
| if oldName in mtd: | ||
| DeleteWorkspace(oldName) | ||
|
|
||
| self.setProperty(self.OUTPUTGRPPROP, mtd[outws]) | ||
|
|
||
| def conjoinMatrixWorkspaces(self, inws, outws, index): | ||
| tmpws = f"{inws}_{index}" | ||
| if index < mtd[inws].getNumberHistograms(): | ||
| ExtractSingleSpectrum( | ||
| InputWorkspace=inws, | ||
| Outputworkspace=tmpws, | ||
| WorkspaceIndex=index, | ||
| ) | ||
| else: | ||
| CloneWorkspace( | ||
| InputWorkspace=inws, | ||
| OutputWorkspace=tmpws, | ||
| ) | ||
| ConjoinWorkspaces( | ||
| InputWorkspace1=outws, | ||
| InputWorkspace2=tmpws, | ||
| CheckOverlapping=False, | ||
| ) | ||
| if self.autoDelete and inws in mtd: | ||
| DeleteWorkspace(inws) | ||
| assert outws in mtd | ||
|
|
||
| def conjoinTableWorkspaces(self, inws, outws, index): # noqa: ARG002 | ||
| BufferMissingColumnsAlgo( | ||
| Workspace1=inws, | ||
| Workspace2=outws, | ||
| ) | ||
| BufferMissingColumnsAlgo( | ||
| Workspace1=outws, | ||
| Workspace2=inws, | ||
| ) | ||
| ConjoinTableWorkspaces( | ||
| InputWorkspace1=outws, | ||
| InputWorkspace2=inws, | ||
| AutoDelete=self.autoDelete, | ||
| ) |
50 changes: 50 additions & 0 deletions
50
src/snapred/backend/recipe/algorithm/CreateTableWorkspace.py
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,50 @@ | ||
| from mantid.api import PythonAlgorithm | ||
| from mantid.dataobjects import TableWorkspaceProperty | ||
| from mantid.kernel import Direction | ||
| from mantid.kernel import ULongLongPropertyWithValue as PointerProperty | ||
| from mantid.simpleapi import CreateEmptyTableWorkspace | ||
|
|
||
| from snapred.meta.pointer import access_pointer | ||
|
|
||
|
|
||
| class CreateTableWorkspace(PythonAlgorithm): | ||
| def category(self): | ||
| return "SNAPRed Internal" | ||
|
|
||
| def PyInit(self): | ||
| self.declareProperty( | ||
| TableWorkspaceProperty("OutputWorkspace", "", Direction.Output), | ||
| doc="The table workspace created from the input", | ||
| ) | ||
| self.declareProperty( | ||
| PointerProperty("Data", id(None), Direction.Input), | ||
| doc="A dictionary with column names as keys, corresponding to a list for the column values", | ||
| ) | ||
| self.setRethrows(True) | ||
|
|
||
| def PyExec(self): | ||
| data = access_pointer(self.getProperty("Data").value) | ||
| colnames = list(data.keys()) | ||
| length = len(data[colnames[0]]) | ||
| for col in data.values(): | ||
| if len(col) != length: | ||
| raise RuntimeError(f"Column mismatch: length {len(col)} vs {length}") | ||
|
|
||
| outputWorkspace = self.getPropertyValue("OutputWorkspace") | ||
| ws = CreateEmptyTableWorkspace( | ||
| OutputWorkspace=outputWorkspace, | ||
| ) | ||
| # add the columns | ||
| for colname in colnames: | ||
| coltype = type((data[colname][-1:] or [""])[0]) | ||
| if coltype is float: | ||
| coltype = "double" | ||
| else: | ||
| coltype = coltype.__name__ | ||
|
|
||
| ws.addColumn(type=coltype, name=colname) | ||
| # now add all the data in the columns | ||
| for i in range(length): | ||
| ws.addRow({colname: data[colname][i] for colname in colnames}) | ||
|
|
||
| self.setProperty("OutputWorkspace", ws) |
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Oops, something went wrong.