def drawGroup(request, adjlist, format='png'):
"""
Returns an image of the provided adjacency list `adjlist` for a molecular
group. urllib is used to quote/unquote the adjacency list.
"""
from rmgpy.molecule.group import Group
from rmgpy.molecule.adjlist import InvalidAdjacencyListError
adjlist = str(urllib.unquote(adjlist))
try:
group = Group().fromAdjacencyList(adjlist)
except (InvalidAdjacencyListError, ValueError):
response = HttpResponseRedirect(static('img/invalid_icon.png'))
else:
if format == 'png':
response = HttpResponse(content_type="image/png")
response.write(group.draw('png'))
elif format == 'svg':
response = HttpResponse(content_type="image/svg+xml")
svgdata = group.draw('svg')
# Remove the scale and rotate transformations applied by pydot
svgdata = re.sub(r'scale\(0\.722222 0\.722222\) rotate\(0\) ', '', svgdata)
response.write(svgdata)
else:
response = HttpResponse('Image format not implemented.', status=501)
return response
def drawGroup(request, adjlist, format='png'):
"""
Returns an image of the provided adjacency list `adjlist` for a molecular
group. urllib is used to quote/unquote the adjacency list.
"""
from rmgpy.molecule.group import Group
from rmgpy.molecule.adjlist import InvalidAdjacencyListError
adjlist = urllib.parse.unquote(adjlist)
try:
group = Group().from_adjacency_list(adjlist)
except (InvalidAdjacencyListError, ValueError):
response = HttpResponseRedirect(static('img/invalid_icon.png'))
else:
if format == 'png':
response = HttpResponse(content_type="image/png")
response.write(group.draw('png'))
elif format == 'svg':
response = HttpResponse(content_type="image/svg+xml")
svg_data = group.draw('svg')
# Remove the scale and rotate transformations applied by pydot
svg_data = re.sub(r'scale\(0\.722222 0\.722222\) rotate\(0\) ', '',
svg_data)
response.write(svg_data)
else:
response = HttpResponse('Image format not implemented.',
status=501)
return response
def drawGroup(request, adjlist, format='png'):
"""
Returns an image of the provided adjacency list `adjlist` for a molecular
group. urllib is used to quote/unquote the adjacency list.
"""
from rmgpy.molecule.group import Group
adjlist = str(urllib.unquote(adjlist))
group = Group().fromAdjacencyList(adjlist)
if format == 'png':
response = HttpResponse(content_type="image/png")
response.write(group.draw('png'))
elif format == 'svg':
response = HttpResponse(content_type="image/svg+xml")
svgdata = group.draw('svg')
# Remove the scale and rotate transformations applied by pydot
svgdata = re.sub(r'scale\(0\.722222 0\.722222\) rotate\(0\) ', '',
svgdata)
response.write(svgdata)
else:
response = HttpResponse('Image format not implemented.', status=501)
return response
def drawGroup(request, adjlist):
"""
Returns an image of the provided adjacency list `adjlist` for a molecular
pattern. urllib is used to quote/unquote the adjacency list.
"""
from rmgpy.molecule.group import Group
response = HttpResponse(content_type="image/svg+xml")
adjlist = str(urllib.unquote(adjlist))
pattern = Group().fromAdjacencyList(adjlist)
# Create an svg drawing of the group
svgdata = pattern.draw('svg')
# Remove the scale and rotate transformations applied by pydot
svgdata = re.sub(r'scale\(0\.722222 0\.722222\) rotate\(0\) ', '', svgdata)
response.write(svgdata)
return response
def testDrawGroup(self):
"""Test that the draw method returns the expected pydot graph."""
adjlist = """
1 *1 [C,Cd,Ct,CO,CS,Cb] u1 {2,[S,D,T,B]}
2 *2 [C,Cd,Ct,CO,CS,Cb] u0 {1,[S,D,T,B]} {3,[S,D,T,B]}
3 *3 [C,Cd,Ct,CO,CS,Cb] u0 {2,[S,D,T,B]} {4,[S,D,T,B]}
4 *4 [C,Cd,Ct,CO,CS,Cb] u0 {3,[S,D,T,B]}
"""
# Use of tabs in the expected string is intentional
expected = """
graph G {
graph [dpi=52];
node [label="\N"];
1 [fontname=Helvetica,
fontsize=16,
label="*1 C,Cd,Ct,CO,CS,Cb"];
2 [fontname=Helvetica,
fontsize=16,
label="*2 C,Cd,Ct,CO,CS,Cb"];
1 -- 2 [fontname=Helvetica,
fontsize=16,
label="S,D,T,B"];
3 [fontname=Helvetica,
fontsize=16,
label="*3 C,Cd,Ct,CO,CS,Cb"];
2 -- 3 [fontname=Helvetica,
fontsize=16,
label="S,D,T,B"];
4 [fontname=Helvetica,
fontsize=16,
label="*4 C,Cd,Ct,CO,CS,Cb"];
3 -- 4 [fontname=Helvetica,
fontsize=16,
label="S,D,T,B"];
}
"""
group = Group().fromAdjacencyList(adjlist)
result = group.draw('canon')
self.assertEqual(''.join(result.split()), ''.join(expected.split()))
def testDrawGroup(self):
"""Test that the draw method returns the expected pydot graph."""
adjlist = """
1 *1 [C,Cd,Ct,CO,CS,Cb] u1 {2,[S,D,T,B]}
2 *2 [C,Cd,Ct,CO,CS,Cb] u0 {1,[S,D,T,B]} {3,[S,D,T,B]}
3 *3 [C,Cd,Ct,CO,CS,Cb] u0 {2,[S,D,T,B]} {4,[S,D,T,B]}
4 *4 [C,Cd,Ct,CO,CS,Cb] u0 {3,[S,D,T,B]}
"""
# Use of tabs in the expected string is intentional
expected = """
graph G {
graph [dpi=52];
node [label="\N"];
1 [fontname=Helvetica,
fontsize=16,
label="*1 C,Cd,Ct,CO,CS,Cb"];
2 [fontname=Helvetica,
fontsize=16,
label="*2 C,Cd,Ct,CO,CS,Cb"];
1 -- 2 [fontname=Helvetica,
fontsize=16,
label="S,D,T,B"];
3 [fontname=Helvetica,
fontsize=16,
label="*3 C,Cd,Ct,CO,CS,Cb"];
2 -- 3 [fontname=Helvetica,
fontsize=16,
label="S,D,T,B"];
4 [fontname=Helvetica,
fontsize=16,
label="*4 C,Cd,Ct,CO,CS,Cb"];
3 -- 4 [fontname=Helvetica,
fontsize=16,
label="S,D,T,B"];
}
"""
group = Group().fromAdjacencyList(adjlist)
result = group.draw('canon')
self.assertEqual(''.join(result.split()), ''.join(expected.split()))
