def _do_get_provider_count_and_objs(self, name=None, **kw):
userid = request.identity['repoze.who.userid']
lcompound = DBSession.query(LCompound)
dsc = True
order = 'id'
if kw:
for k, v in kw.iteritems():
if str(k) == 'desc' and str(v) != '1':
dsc = None
elif str(k) == 'order_by':
order = v
# else:
# scompound = scompound.filter(str(k)==str(v))
if dsc:
lcompound = lcompound.order_by(desc(order))
else:
lcompound = lcompound.order_by((order))
lcompound = lcompound.all()
return len(lcompound), lcompound
def _do_get_provider_count_and_objs(self, name=None, **kw):
userid = request.identity['repoze.who.userid']
scompound = ()
dsc = True
order = 'id'
if kw:
try:
smiles = kw['smi']
method = kw['method']
except Exception:
smiles = None
method = None
pass
try:
ogranicz_tekst = kw['ogranicz_tekst']
except Exception:
ogranicz_tekst = None
pass
if smiles:
if checksmi(smiles):
from razi.functions import functions
from razi.expression import TxtMoleculeElement
if method == 'similarity':
query_bfp = functions.morgan_b(TxtMoleculeElement(smiles), 2)
constraint = SCompound.morgan.dice_similar(query_bfp)
dice_sml = SCompound.morgan.dice_similarity(query_bfp).label('dice')
# scompound = DBSession.query(SCompound, dice_sml).filter(constraint).filter(SCompound.owner.contains(userid))
scompound = DBSession.query(SCompound).filter(constraint).filter(SCompound.owner.contains(userid))
elif method == 'substructure':
constraint = SCompound.structure.contains(smiles)
scompound = DBSession.query(SCompound).filter(constraint).filter(SCompound.owner.contains(userid))
elif method == 'identity':
scompound = DBSession.query(SCompound).filter(SCompound.structure.equals(smiles)).filter(SCompound.owner.contains(userid))
# if ogranicz_tekst:
# scompound = scompound.filter(SCompound.__getattribute__(SCompound, kw['ogranicz']).like(ogranicz_tekst))
else:
flash('SMILES error', 'warning')
scompound = ()
else:
scompound = DBSession.query(SCompound).filter(SCompound.owner.contains(userid))
if ogranicz_tekst:
if kw['ogranicz'] == 'p_id':
try:
p_id = int(ogranicz_tekst)
scompound = scompound.filter_by(p_id = p_id )
except Exception as msg:
flash('P_id should be a number: %s' % msg, 'error')
else:
scompound = scompound.filter(SCompound.__getattribute__(SCompound, kw['ogranicz']).like(ogranicz_tekst))
try:
tagi = kw['tags']
except Exception:
tagi = None
pass
if isinstance(tagi, basestring):
tagi_id = [int(tagi)]
else:
tagi_id = [int(id) for id in tagi]
if tagi_id:
import sqlalchemy
scompound = scompound.filter(SCompound.tags.any(Tags.tags_id.in_(tagi_id)))
# scompound = scompound.filter(SCompound.tags.contain(tagi_id))
# scompound = scompound.join(SCompound.tags).filter_by(not_(tags_id = tagi_id[0]))
if int(kw['status']) > 0:
scompound = scompound.filter(SCompound.status_id == int(kw['status']))
for k, v in kw.iteritems():
if str(k) == 'desc' and str(v) != '1':
dsc = None
elif str(k) == 'order_by':
order = v
if scompound:
if dsc:
scompound = scompound.order_by(desc(order))
else:
scompound = scompound.order_by((order))
scompound = scompound.all()
# scompound = scompound.all()
return len(scompound), scompound