def filter(self, fes):
request = self.request
filters = request.GET.get("filter", False)
if not filters:
meta_data = {
"warnings": [
"_oqmd_NoFilterWarning: No filters were provided in the query. Returning all structures"
],
}
return fes, meta_data
# shortcut to get all stable phases
filters = filters.replace("stability=0", "stability<=0")
filters = filters.replace("&", " AND ")
filters = filters.replace("|", " OR ")
filters = filters.replace("~", " NOT ")
q, meta_info = query_to_Q(filters)
if not q:
return ([], meta_info)
fes = fes.filter(q)
return (fes, meta_info)
def composition_filter(self, entries):
"""
Valid url parameter inputs:
1. ?composition=Fe2O3
2. ?composition=Fe-O
3. ?composition={Fe,Ni}O
4. ?composition={3d}2O3
5. ?composition=include_(Fe,Mn)-O : (Fe OR Mn) AND O
6. ?composition=include_Cl,O-H : Cl OR O AND H
6. ?composition=include_H-{3d} : 3d elements AND H
"""
request = self.request
comp = request.GET.get("composition", False)
if not comp:
return entries
if not "include_" in comp:
if "{" and "}" in comp:
c_dict_lst = parse_formula_regex(comp)
f_lst = []
for cd in c_dict_lst:
f = " ".join(
["%s%g" % (k, cd[k]) for k in sorted(cd.keys())])
f_lst.append(f)
entries = entries.filter(composition__formula__in=f_lst)
else:
c_lst = comp.strip().split("-")
cs = Composition.get_list(c_lst)
if len(cs) == 1:
c = cs[0]
else:
c = cs
entries = entries.filter(composition=c)
else:
comp_in = comp.replace("include_", "")
# t = Token(comp_in)
# q = t.evaluate()
q = query_to_Q(comp_in)
entries = entries.filter(q)
# comp_ex = request.GET.get('composition_exclude', False)
# if comp_ex:
# cex_lst = Composition.get(comp_ex).comp.keys()
# while cex_lst:
# tmp_ex = cex_lst.pop()
# entries = entries.exclude(composition__element_set=tmp_ex)
return entries
def filter(self, fes):
"""
Valid attributes:
element, generic, prototype, spacegroup,
volume, natoms, ntypes, stability,
delta_e, band_gap
Requirments:
1. Space padding is required between expression.
2. For each epression, space is not allowed.
3. Operators include: 'AND', 'OR'
4. '(' and ')' can be used to change precedence
5. For numerical attributes, we can have '>' or '<' conditions.
Valid examples:
'element=Mn AND band_gap>1'
'( element=O OR element=S ) AND natoms<3'
Invalid examples:
'element = Fe'
'( element=Fe And element=O)'
Additionally, instead of multiple 'element' expressions, we can use
'element_set' expression to combine elements in the filter.
Format of element_set expression:
',': AND operator
'-': OR operator
'(', ')': to change precedence
Examples:
element_set=Al;O,H
element_set=(Mn;Fe),O
"""
request = self.request
filters = request.GET.get("filter", False)
if not filters:
return fes
# shortcut to get all stable phases
filters = filters.replace("stability=0", "stability<=0")
# replace'&' ,'|' and '~' to 'AND', 'OR' and 'NOT', respectively
filters = filters.replace("&", " AND ")
filters = filters.replace("|", " OR ")
filters = filters.replace("~", " NOT ")
q, meta_info = query_to_Q(filters)
if not q:
return []
fes = fes.filter(q)
return fes
def filter(self, fes):
request = self.request
filters = request.GET.get('filter', False)
if not filters:
return fes
filters = filters.replace('&', ' AND ')
filters = filters.replace('|', ' OR ')
filters = filters.replace('~', ' NOT ')
q = query_to_Q(filters)
fes = fes.filter(q)
return fes
def filter(self, fes):
request = self.request
filters = request.GET.get('filter', False)
if not filters:
return fes
# shortcut to get all stable phases
filters = filters.replace('stability=0', 'stability<=0')
filters = filters.replace('&', ' AND ')
filters = filters.replace('|', ' OR ')
filters = filters.replace('~', ' NOT ')
q = query_to_Q(filters)
fes = fes.filter(q)
return fes
def filter(self, fes):
request = self.request
filters = request.GET.get("filter", False)
if not filters:
return fes
# shortcut to get all stable phases
filters = filters.replace("stability=0", "stability<=0")
filters = filters.replace("&", " AND ")
filters = filters.replace("|", " OR ")
filters = filters.replace("~", " NOT ")
q = query_to_Q(filters)
if not q:
return []
fes = fes.filter(q)
return fes