Python MoleculeDrawer.write_to_png示例

示例#1

文件： views.py 项目： ReactionMechanismGenerator/RMG-website

def drawMolecule(request, adjlist, format='png'):
    """
    Returns an image of the provided adjacency list `adjlist` for a molecule.
    urllib is used to quote/unquote the adjacency list.
    """
    from rmgpy.molecule import Molecule
    from rmgpy.molecule.draw import MoleculeDrawer
    from rmgpy.molecule.adjlist import InvalidAdjacencyListError

    adjlist = str(urllib.unquote(adjlist))

    try:
        molecule = Molecule().fromAdjacencyList(adjlist)
    except (InvalidAdjacencyListError, ValueError):
        response = HttpResponseRedirect(static('img/invalid_icon.png'))
    else:
        if format == 'png':
            response = HttpResponse(content_type="image/png")
            surface, _, _ = MoleculeDrawer().draw(molecule, format='png')
            surface.write_to_png(response)
        elif format == 'svg':
            response = HttpResponse(content_type="image/svg+xml")
            MoleculeDrawer().draw(molecule, format='svg', target=response)
        else:
            response = HttpResponse('Image format not implemented.', status=501)

    return response

示例#2

def drawMolecule(request, adjlist, format='png'):
    """
    Returns an image of the provided adjacency list `adjlist` for a molecule.
    urllib is used to quote/unquote the adjacency list.
    """
    from rmgpy.molecule import Molecule
    from rmgpy.molecule.draw import MoleculeDrawer
    from rmgpy.molecule.adjlist import InvalidAdjacencyListError
    from django.templatetags.static import static

    adjlist = str(urllib.unquote(adjlist))

    try:
        molecule = Molecule().fromAdjacencyList(adjlist)
    except InvalidAdjacencyListError:
        response = HttpResponseRedirect(static('img/invalid_icon.png'))
    else:
        if format == 'png':
            response = HttpResponse(content_type="image/png")
            surface, _, _ = MoleculeDrawer().draw(molecule, format='png')
            surface.write_to_png(response)
        elif format == 'svg':
            response = HttpResponse(content_type="image/svg+xml")
            MoleculeDrawer().draw(molecule, format='svg', target=response)
        else:
            response = HttpResponse('Image format not implemented.',
                                    status=501)

    return response

示例#3

def drawMolecule(request, adjlist):
    """
    Returns an image of the provided adjacency list `adjlist` for a molecule.
    urllib is used to quote/unquote the adjacency list.
    """
    from rmgpy.molecule import Molecule
    from rmgpy.molecule.draw import MoleculeDrawer

    adjlist = str(urllib.unquote(adjlist))
    molecule = Molecule().fromAdjacencyList(adjlist)

    surface, cr, rect = MoleculeDrawer().draw(molecule, format='png')
    response = HttpResponse(content_type="image/png")
    surface.write_to_png(response)
    return response

示例#4

def drawMolecule(request, adjlist):
    """
    Returns an image of the provided adjacency list `adjlist` for a molecule.
    urllib is used to quote/unquote the adjacency list.
    """
    from rmgpy.molecule import Molecule
    from rmgpy.molecule.draw import MoleculeDrawer

    adjlist = str(urllib.unquote(adjlist))
    molecule = Molecule().fromAdjacencyList(adjlist)

    surface, cr, rect = MoleculeDrawer().draw(molecule, format='png')
    response = HttpResponse(content_type="image/png")
    surface.write_to_png(response)
    return response

示例#5

文件： views.py 项目： vishalvishw10/RMG-website

def drawMolecule(request, adjlist, format='png'):
    """
    Returns an image of the provided adjacency list `adjlist` for a molecule.
    urllib is used to quote/unquote the adjacency list.
    """
    import io
    from rmgpy.molecule import Molecule
    from rmgpy.molecule.draw import MoleculeDrawer
    from rmgpy.molecule.adjlist import InvalidAdjacencyListError

    adjlist = urllib.parse.unquote(adjlist)

    try:
        molecule = Molecule().from_adjacency_list(adjlist)
    except (InvalidAdjacencyListError, ValueError):
        response = HttpResponseRedirect(static('img/invalid_icon.png'))
    else:
        if format == 'png':
            response = HttpResponse(content_type="image/png")
            surface, _, _ = MoleculeDrawer().draw(molecule, file_format='png')
            response.write(surface.write_to_png())
        elif format == 'svg':
            response = HttpResponse(content_type="image/svg+xml")
            svg_data = io.BytesIO()
            MoleculeDrawer().draw(molecule, file_format='svg', target=svg_data)
            response.write(svg_data.getvalue())
        else:
            response = HttpResponse('Image format not implemented.',
                                    status=501)

    return response

示例#6

文件： views.py 项目： nick-rc/RMG-website

def drawMolecule(request, adjlist):
    """
    Returns an image of the provided adjacency list `adjlist` for a molecule.
    Note that the newline character cannot be represented in a URL;
    semicolons should be used instead.
    """
    from rmgpy.molecule import Molecule
    from rmgpy.molecule.draw import MoleculeDrawer

    adjlist = str(urllib.unquote(adjlist))
    molecule = Molecule().fromAdjacencyList(adjlist)

    surface, cr, rect = MoleculeDrawer().draw(molecule, format='png')
    response = HttpResponse(content_type="image/png")
    surface.write_to_png(response)
    return response

示例#7

def drawMolecule(request, adjlist):
    """
    Returns an image of the provided adjacency list `adjlist` for a molecule.
    Note that the newline character cannot be represented in a URL;
    semicolons should be used instead.
    """
    from rmgpy.molecule import Molecule
    from rmgpy.molecule.draw import MoleculeDrawer

    response = HttpResponse(mimetype="image/png")

    adjlist = str(adjlist.replace(';', '\n'))
    molecule = Molecule().fromAdjacencyList(adjlist)
    surface, cr, rect = MoleculeDrawer().draw(molecule, format='png')
    surface.write_to_png(response)

    return response