def testDumpDictionary(self):
"""Test case - dump methods for dictionary metadata
"""
try:
myIo = IoAdapter(raiseExceptions=True)
self.__containerList = myIo.readFile(
inputFilePath=self.__pathPdbxDictionary)
dApi = DictionaryApi(containerList=self.__containerList,
consolidate=True,
verbose=self.__verbose)
# dApi.dumpCategoryIndex(fh=self.__lfh)
# dApi.dumpEnumFeatures(fh=self.__lfh)
# dApi.dumpFeatures(fh=self.__lfh)
# dApi.dumpMethods(fh=self.__lfh)
logger.debug(
"+++++++++++++++++++++++++++++++++++++++++++++++++++++++\n")
groupList = dApi.getCategoryGroups()
logger.debug("groupList %s\n", groupList)
for group in groupList:
logger.debug("Group %s category list %s\n", group,
dApi.getCategoryGroupCategories(groupName=group))
self.assertGreater(len(groupList), 10)
except Exception as e:
logger.exception("Failing with %s", str(e))
self.fail()
def test_dump_dictionary(self, api_paths):
myIo = IoAdapter(raiseExceptions=True)
containerList = myIo.readFile(
inputFilePath=str(api_paths['pathPdbxDictionary']))
dApi = DictionaryApi(containerList=containerList, consolidate=True)
print('+++++++++++++++++++++++++++++++++++++++++++++++++++++++\n')
groupList = dApi.getCategoryGroups()
print('groupList %s\n' % groupList)
for group in groupList:
print('Group %s category list %s\n' %
(group, dApi.getCategoryGroupCategories(groupName=group)))
assert len(groupList) > 10
class DictionaryData(object):
def __init__(self):
basedir = os.path.join(os.path.dirname(__file__), "..", "dist")
self.dictPath = os.path.join(basedir, "mmcif_pdbx_v5_next.dic")
def readDictionary(self):
myIo = IoAdapterPy()
self.__containerList = myIo.readFile(inputFilePath=self.dictPath)
self._dApi = DictionaryApi(containerList=self.__containerList,
consolidate=True)
assert len(self.getGroups()) > 0, "Failed to load %s" % self.dictPath
def getGroups(self):
groupList = self._dApi.getCategoryGroups()
return groupList
def getTypeRegex(self, cat, attrib):
return self._dApi.getTypeRegex(cat, attrib)
def getTypeRegexAlt(self, cat, attrib):
return self._dApi.getTypeRegexAlt(cat, attrib)
def getDataTypeList(self):
""" Return list of tuples containing ('code','primitive_code','construct','detail' )
"""
return self._dApi.getDataTypeList()
def getEnumList(self, category, attribute, sortFlag=True):
return self._dApi.getEnumList(category, attribute, sortFlag)
def getEnumListAlt(self, category, attribute, sortFlag=True):
return self._dApi.getEnumListAlt(category, attribute, sortFlag)
def getEnumListAltWithDetail(self, category, attribute):
return self._dApi.getEnumListAltWithDetail(category, attribute)
def getAllCategory(self):
"""Returns list of all categories"""
return self._dApi.getCategoryList()
def getCategoryList(self):
return self._dApi.getCategoryList()
def getItemNameList(self, category):
return self._dApi.getItemNameList(category)
def wwPDBContext(self, catItem):
"""Returns true if category or item have local context"""
category, item = catItem.split('.')
if category[0] == "_":
category = category[1:]
#print "CHECKING ", category, item, self.__dictA.getCategoryContextList(category)
if self._dApi.getCategoryContextList(category) == ['WWPDB_LOCAL']:
return True
if self._dApi.getContextList(category, item) == ['WWPDB_LOCAL']:
return True
return False
def getCategoryItemEnum(self, itemName):
"""Returns any archive enum list"""
categoryName = CifName.categoryPart(itemName)
attributeName = CifName.attributePart(itemName)
return self._dApi.getEnumList(categoryName, attributeName)
def getCategoryPdbxItemEnum(self, itemName):
"""Returns any DepUI enum list"""
categoryName = CifName.categoryPart(itemName)
attributeName = CifName.attributePart(itemName)
return self._dApi.getEnumListAlt(categoryName, attributeName)
def getItemRelatedList(self, itemName):
categoryName = CifName.categoryPart(itemName)
attributeName = CifName.attributePart(itemName)
return self._dApi.getItemRelatedList(categoryName, attributeName)
def test_markup_category_group(self, in_tmpdir, test_files, out_file_name,
groupSelectList):
oFile = out_file_name
rL = []
myIo = IoAdapter()
containerList = myIo.readFile(
str(test_files / "mmcif_pdbx_v5_next.dic"))
dApi = DictionaryApi(containerList=containerList, consolidate=True)
#
groupList = dApi.getCategoryGroups()
print('groupList %s\n' % groupList)
for groupName in groupList:
if groupSelectList and groupName not in groupSelectList:
continue
#
# Goup header details
#
rL.append("# Category Group %s" % groupName)
rL.append("")
rL.append("")
rL.append("%s" % dApi.getCategoryGroupDescription(groupName))
rL.append("")
rL.append("---")
rL.append("")
catNameList = dApi.getCategoryGroupCategories(groupName=groupName)
#
cList = self.__sortIgnoreCase(catNameList)
for catName in cList:
print('Group %s category %s\n' % (groupName, catName))
catDescription = dApi.getCategoryDescription(category=catName)
catExTupList = dApi.getCategoryExampleList(category=catName)
keyItemNameList = dApi.getCategoryKeyList(category=catName)
keyAttNameList = [
CifName.attributePart(k) for k in keyItemNameList
]
#
# Category header details
#
rL.append("## Category %s" % catName)
rL.append("")
rL.append("")
rL.append(" %s" % catDescription)
rL.append("")
rL.append("---")
rL.append("")
if catExTupList:
rL.extend(
self.__formatTupListInset(catExTupList, tab=' '))
#
# summary table
#
rL.append("")
rL.append("---")
rL.append("")
rL.append(
"| Attribute | Key | Required | Type | Units | Enumerated | Bounded |"
)
rL.append(
"| --------- | --- | -------- | ---- | ----- | ---------- | ------- |"
)
aList = self.__sortIgnoreCase(
dApi.getAttributeNameList(category=catName))
for attName in aList:
isKey = attName in keyAttNameList
attDescription = dApi.getDescription(category=catName,
attribute=attName)
attUnits = dApi.getUnits(category=catName,
attribute=attName)
attMandatory = dApi.getMandatoryCode(category=catName,
attribute=attName)
attTypeCode = dApi.getTypeCode(category=catName,
attribute=attName)
enumTupList = dApi.getEnumListWithDetail(category=catName,
attribute=attName)
if len(enumTupList) > 0:
isEnum = True
else:
isEnum = False
bL = dApi.getBoundaryList(category=catName,
attribute=attName)
if len(bL) > 0:
isBounded = True
else:
isBounded = False
rL.append(
'| %s | %s | %s | %s | %s | %s | %s |' %
(attName, self.__trB(isKey), attMandatory, attTypeCode,
attUnits, self.__trB(isEnum), self.__trB(isBounded)))
#
rL.append("")
rL.append("---")
rL.append("")
#
for attName in aList:
isKey = attName in keyAttNameList
attMandatory = dApi.getMandatoryCode(category=catName,
attribute=attName)
#
tN = '_' + catName + '.' + attName
if isKey:
tN = tN + ' (key)'
elif attMandatory.upper() in ['YES', 'Y']:
tN = tN + ' (required)'
#
rL.append("#### %s\n" % tN)
rL.append("")
attDescription = dApi.getDescription(category=catName,
attribute=attName)
rL.append(" %s\n" % attDescription)
rL.append("")
attUnits = dApi.getUnits(category=catName,
attribute=attName)
attTypeCode = dApi.getTypeCode(category=catName,
attribute=attName)
enumTupList = dApi.getEnumListWithDetail(category=catName,
attribute=attName)
if len(enumTupList) > 0:
rL.append("")
rL.append("---")
rL.append("")
rL.append("| Allowed Values | Detail |")
rL.append("| -------------- | ------ |")
for tup in enumTupList:
if tup[1] and len(tup[1]) > 0:
rL.append("| %s | %s |" % (tup[0], tup[1]))
else:
rL.append("| %s | %s |" % (tup[0], ' '))
rL.append("")
#
bL = dApi.getBoundaryList(category=catName,
attribute=attName)
btL = self.__processbounds(bL)
if len(btL) > 0:
tup = btL[0]
rL.append("")
rL.append("---")
rL.append("")
rL.append("| %s | %s |" % (tup[0], tup[1]))
#
rL.append("| ------------- | ------ |")
for tup in btL[1:]:
rL.append("| %s | %s |" % (tup[0], tup[1]))
rL.append("")
rL.append("")
with open(str(oFile), 'w') as ofh:
ofh.write('\n'.join(rL))
def testClassifyByGroup(self):
"""Test case - organize dictionary items by classes: SAMPLE, MX, NMR, EM, STRUCTURE, and DB"""
try:
myIo = IoAdapter(raiseExceptions=True)
self.__containerList = myIo.readFile(
inputFilePath=self.__pathPdbxDictionary)
dApi = DictionaryApi(containerList=self.__containerList,
consolidate=True,
verbose=self.__verbose)
#
itemList = []
groupList = dApi.getCategoryGroups()
categoryList = dApi.getCategoryList()
for category in categoryList:
itemList.extend(dApi.getItemNameList(category))
itemList = sorted(set(itemList))
logger.info("Total category length %d", len(categoryList))
logger.info("Total definition length %d", len(itemList))
logger.info("group length %s", len(groupList))
logger.debug("groupList %r", groupList)
#
findUnlinked = False
if findUnlinked:
tSet = set(["pdbx_group", "inclusive_group"])
for category in categoryList:
gList = dApi.getCategoryGroupList(category)
gSet = set(gList)
if gSet == tSet:
logger.info("unqualified %s", category)
# logger.info("%s -> %r", category, gList)
if not gList:
logger.info("--- No category group assignment for %s",
category)
#
classD = {}
# Add category group members -
for groupName, className in self.__groupClassTupL:
categoryL = dApi.getCategoryGroupCategories(
groupName, followChildren=True)
for category in categoryL:
classD.setdefault(className, []).extend(
dApi.getItemNameList(category))
#
# Add unlinked categories
#
for category, className in self.__unlinkedCategoryClassTup:
classD.setdefault(className,
[]).extend(dApi.getItemNameList(category))
#
sumItem = 0
classItemD = {}
for className, itemL in classD.items():
numItem = len(set(itemL))
sumItem += numItem
logger.info("class %s items %d", className, len(set(itemL)))
for item in itemL:
classItemD[item] = True
#
logger.info("Sum classified items is %d", sumItem)
logger.info("classified items %d", len(classItemD))
#
logger.debug("classItemD.items() %r",
list(classItemD.items())[:10])
missingGroupL = []
jj = 0
for item in itemList:
if item not in classItemD:
jj += 1
category = CifName.categoryPart(item)
logger.info("%d item %r category %r", jj, item, category)
missingGroupL.extend(dApi.getCategoryGroupList(category))
#
logger.info("missing groups %r", sorted(set(missingGroupL)))
except Exception as e:
logger.exception("Failing with %s", str(e))
self.fail()
def __testMarkupCategoryGroup(self, oFile, groupSelectList=None):
"""Test case - extract the content to be rendered -"""
startTime = time.time()
logger.debug("\nStarting at %s\n",
time.strftime("%Y %m %d %H:%M:%S", time.localtime()))
try:
rL = []
myIo = IoAdapter()
containerList = myIo.readFile(self.__pathPdbxV50Dictionary)
dApi = DictionaryApi(containerList=containerList,
consolidate=True,
verbose=self.__verbose)
#
groupList = dApi.getCategoryGroups()
logger.debug("groupList %s\n", groupList)
for groupName in groupList:
if groupSelectList and groupName not in groupSelectList:
continue
#
# Goup header details
#
rL.append("# Category Group %s" % groupName)
rL.append("")
rL.append("")
rL.append("%s" % dApi.getCategoryGroupDescription(groupName))
rL.append("")
rL.append("---")
rL.append("")
catNameList = dApi.getCategoryGroupCategories(
groupName=groupName)
#
cList = self.__sortIgnoreCase(catNameList)
for catName in cList:
logger.debug("Group %s category %s\n", groupName, catName)
catDescription = dApi.getCategoryDescription(
category=catName)
catExTupList = dApi.getCategoryExampleList(
category=catName)
keyItemNameList = dApi.getCategoryKeyList(category=catName)
keyAttNameList = [
CifName.attributePart(k) for k in keyItemNameList
]
#
# Category header details
#
rL.append("## Category %s" % catName)
rL.append("")
rL.append("")
rL.append(" %s" % catDescription)
rL.append("")
rL.append("---")
rL.append("")
if catExTupList:
rL.extend(
self.__formatTupListInset(catExTupList,
tab=" "))
#
# summary table
#
rL.append("")
rL.append("---")
rL.append("")
rL.append(
"| Attribute | Key | Required | Type | Units | Enumerated | Bounded |"
)
rL.append(
"| --------- | --- | -------- | ---- | ----- | ---------- | ------- |"
)
aList = self.__sortIgnoreCase(
dApi.getAttributeNameList(category=catName))
for attName in aList:
isKey = attName in keyAttNameList
attDescription = dApi.getDescription(category=catName,
attribute=attName)
attUnits = dApi.getUnits(category=catName,
attribute=attName)
attMandatory = dApi.getMandatoryCode(category=catName,
attribute=attName)
attTypeCode = dApi.getTypeCode(category=catName,
attribute=attName)
enumTupList = dApi.getEnumListWithDetail(
category=catName, attribute=attName)
if enumTupList:
isEnum = True
else:
isEnum = False
bL = dApi.getBoundaryList(category=catName,
attribute=attName)
if bL:
isBounded = True
else:
isBounded = False
rL.append("| %s | %s | %s | %s | %s | %s | %s |" %
(attName, self.__trB(isKey), attMandatory,
attTypeCode, attUnits, self.__trB(isEnum),
self.__trB(isBounded)))
#
rL.append("")
rL.append("---")
rL.append("")
#
for attName in aList:
isKey = attName in keyAttNameList
attMandatory = dApi.getMandatoryCode(category=catName,
attribute=attName)
#
tN = "_" + catName + "." + attName
if isKey:
tN = tN + " (key)"
elif attMandatory.upper() in ["YES", "Y"]:
tN = tN + " (required)"
#
rL.append("#### %s\n" % tN)
rL.append("")
attDescription = dApi.getDescription(category=catName,
attribute=attName)
rL.append(" %s\n" % attDescription)
rL.append("")
attUnits = dApi.getUnits(category=catName,
attribute=attName)
attTypeCode = dApi.getTypeCode(category=catName,
attribute=attName)
enumTupList = dApi.getEnumListWithDetail(
category=catName, attribute=attName)
if enumTupList:
rL.append("")
rL.append("---")
rL.append("")
rL.append("| Allowed Values | Detail |")
rL.append("| -------------- | ------ |")
for tup in enumTupList:
if tup[1]:
rL.append("| %s | %s |" % (tup[0], tup[1]))
else:
rL.append("| %s | %s |" % (tup[0], " "))
rL.append("")
#
bL = dApi.getBoundaryList(category=catName,
attribute=attName)
btL = self.__processbounds(bL)
if btL:
tup = btL[0]
rL.append("")
rL.append("---")
rL.append("")
rL.append("| %s | %s |" % (tup[0], tup[1]))
#
rL.append("| ------------- | ------ |")
for tup in btL[1:]:
rL.append("| %s | %s |" % (tup[0], tup[1]))
rL.append("")
rL.append("")
with open(oFile, "w") as ofh:
ofh.write("\n".join(rL))
except Exception as e:
logger.exception("Failing with %s", str(e))
self.fail()
endTime = time.time()
logger.debug("\nCompleted at %s (%.2f seconds)",
time.strftime("%Y %m %d %H:%M:%S", time.localtime()),
endTime - startTime)