def render_chemcha(self, molstring, size, ignoreCoords):
buf = StringIO.StringIO()
fontSize = int(size / 33)
if size < 200:
fontSize = 1
mol = Chem.MolFromMolBlock(str(molstring), sanitize=False)
mol.UpdatePropertyCache(strict=False)
if ignoreCoords:
AllChem.Compute2DCoords(mol)
if DrawingOptions:
options = DrawingOptions()
options.useFraction = 1.0
options.dblBondOffset = .13
options.atomLabelFontSize = fontSize
else:
options = {"useFraction": 1.0,
"dblBondOffset": .13,
'atomLabelFontSize': fontSize,}
image = draw.MolToImage(mol, size=(size, size), fitImage=True, options=options)
image = SineWarp().render(image)
image.save(buf, "PNG")
return buf.getvalue(), "image/png"
def render_chemcha(self, molstring, size, ignoreCoords):
buf = StringIO.StringIO()
fontSize = int(size / 33)
if size < 200:
fontSize = 1
mol = Chem.MolFromMolBlock(str(molstring), sanitize=False)
mol.UpdatePropertyCache(strict=False)
if ignoreCoords:
AllChem.Compute2DCoords(mol)
if DrawingOptions:
options = DrawingOptions()
options.useFraction = 1.0
options.dblBondOffset = .13
options.atomLabelFontSize = fontSize
else:
options={"useFraction": 1.0,
"dblBondOffset": .13,
'atomLabelFontSize': fontSize,}
image = Draw.MolToImage(mol, size=(size, size), fitImage=True, options=options)
image = SineWarp().render(image)
image.save(buf, "PNG")
return buf.getvalue(), "image/png"
except ImportError:
import cairocffi
cairocffi.install_as_pycairo()
cffi = True
import io
import cairo
if not hasattr(cairo, 'HAS_PDF_SURFACE'):
cairo.HAS_PDF_SURFACE = False
if not hasattr(cairo, 'HAS_SVG_SURFACE'):
cairo.HAS_SVG_SURFACE = True
# ----------------------------------------------------------------------------------------------------------------------
options = DrawingOptions()
options.useFraction = 1.0
options.dblBondOffset = .13
options.bgColor = None
NUMBER_FILTERS = ['exact', 'range', 'gt', 'gte', 'lt', 'lte', 'in', 'isnull']
FLAG_FILTERS = ['exact', 'isnull']
CHAR_FILTERS = [
'exact', 'iexact', 'contains', 'icontains', 'istartswith', 'startswith',
'endswith', 'iendswith', 'search', 'regex', 'iregex', 'isnull', 'in'
]
DATE_FILTERS = ['exact', 'year', 'month', 'day', 'week_day', 'isnull']
STANDARD_RDKIT_COLORS = {
16: (0.8, 0.8, 0),
1: (0.55, 0.55, 0.55),
35: (0.5, 0.3, 0.1),
17: (0, 0.8, 0),
0: (0.5, 0.5, 0.5),
except ImportError:
import cairocffi
cairocffi.install_as_pycairo()
cffi = True
import io
import cairo
if not hasattr(cairo, 'HAS_PDF_SURFACE'):
cairo.HAS_PDF_SURFACE = False
if not hasattr(cairo, 'HAS_SVG_SURFACE'):
cairo.HAS_SVG_SURFACE = True
SUPPORTED_ENGINES = ['rdkit', 'indigo']
options = DrawingOptions()
options.useFraction = 1.0
options.dblBondOffset = .13
fakeSerializer = ChEMBLApiSerializer('image')
fakeSerializer.formats = ['png', 'svg', 'json']
available_fields = [f.name for f in MoleculeDictionary._meta.fields]
#-----------------------------------------------------------------------------------------------------------------------
class ImageResource(ChemblModelResource):
#-----------------------------------------------------------------------------------------------------------------------
class Meta(ChemblResourceMeta):
resource_name = 'image'
serializer = fakeSerializer