(Do not merge until validation recalculation) Use mmCIF validation reports instead of XML #16
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aliciaaevans
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Note: the |
Merging master via dev-vrpt
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Thanks @brindakv. Overall looks good to me. Just had a couple code-cleanliness comments.
Two other general comments:
- Remember to update
HISTORY.txtand the__init__.pyfile to increment the version number - Looks like there is an error in the Azure pipeline. Doesn't seem to be related to your changes, but will be necessary to address before merging to master.
| # kwD = HashableDict({"marshalHelper": vrd.toCif}) | ||
| kwD = HashableDict({"marshalHelper": toCifWrapper}) | ||
| oL.append(HashableDict({"locator": mergeLocator, "fmt": "xml", "kwargs": kwD})) | ||
| kwD = HashableDict({}) |
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If this is already defined earlier in this loop (see line 239), is there really a need to redefine it?
| @@ -574,8 +573,8 @@ def __getEntryUriList(self, idCodeList=None, mergeContentTypes=None): | |||
| if mergeContentTypes and "vrpt" in mergeContentTypes: | |||
| # if self.__chP.hasEntryContentType(tId, "validation_report"): | |||
| if self.__chP.hasValidationReportData(tId): | |||
| kwD = HashableDict({"marshalHelper": toCifWrapper}) | |||
| locObj.append(HashableDict({"locator": self.__getLocatorRemote("validation_report", tId), "fmt": "xml", "kwargs": kwD})) | |||
| kwD = HashableDict({}) | |||
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Same question here (but in reference to line 571).
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And actually, for both questions, now that you're not changing kwD between consecutive loop iterations, could this just be defined once outside the scope of the loop?
| @@ -742,8 +741,8 @@ def _entryLocatorObjWithMergeWorker(self, dataList, procName, optionsD, workingD | |||
| idCode = fn[:4] if fn and len(fn) >= 8 else None | |||
| mergeLocator = self.__getLocator(mergeContentType, idCode, checkExists=True) if idCode else None | |||
| if mergeLocator: | |||
| kwD = HashableDict({"marshalHelper": toCifWrapper}) | |||
| oL.append(HashableDict({"locator": mergeLocator, "fmt": "xml", "kwargs": kwD})) | |||
| kwD = HashableDict({}) | |||
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And here (w.r.t. line 738)
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Thanks @piehld. I have addressed all the comments except the azure pipeline error. I think this will need mock-data to be updated first. |
Once validation recalculation is done, every entry will have an mmCIF validation report. The
toCifWrappermarshal helper and internal validation dictionary will no longer be needed. Instead, the CIF can be merged with the structure's mmCIF.