OERenderMolecule¶

**The overloaded versions of the OERenderMolecule function**¶
Link	Description
OERenderMolecule(image, disp)	renders a molecule display into an image
OERenderMolecule(image, mol)	renders molecule into an image using the default depiction style
OERenderMolecule(filename, disp)	writes a molecule display into a file
OERenderMolecule(filename, mol)	writes a molecule into a file using the default depiction style
OERenderMolecule(stream, ext, disp)	writes a molecule display into an output stream
OERenderMolecule(stream, ext, mol)	writes a molecule into an output stream using the default depiction style

bool OERenderMolecule(OEImageBase &image, const OE2DMolDisplay &disp,
                      bool clearbackground=true)

Renders the molecule display into an image.

image: The image in which the molecule is drawn.
disp: The OE2DMolDisplay object that holds the data necessary to depict the molecule with which it is initialized.
clearbackground: Determines whether or not the image is cleared (by calling OEImageBase.Clear method) prior to the molecule rendering.

Example:

oedepict.OEPrepareDepiction(mol)

image = oedepict.OEImage(200.0, 200.0)
opts = oedepict.OE2DMolDisplayOptions(image.GetWidth(), image.GetHeight(),
                                      oedepict.OEScale_AutoScale)
disp = oedepict.OE2DMolDisplay(mol, opts)
oedepict.OERenderMolecule(image, disp)

See also

OEImageBase class
OE2DMolDisplay class

bool OERenderMolecule(OEImageBase &image, const OEChem::OEMolBase &mol,
                      bool clearbackground=true)

Renders a molecule into an image using the default depiction style.

image: The image in which the molecule is drawn.
mol: The molecule being rendered has to have valid 2D coordinates before calling the OERenderMolecule function.
clearbackground: Determines whether or not the image is cleared (by calling OEImageBase.Clear method) prior to the molecule rendering.

Example:

oedepict.OEPrepareDepiction(mol)

image = oedepict.OEImage(200.0, 200.0)
oedepict.OERenderMolecule(image, mol)

See also

OEImageBase class

bool OERenderMolecule(const std::string &filename, const OE2DMolDisplay &disp,
                      bool clearbackground=true)

Writes the molecule display into a file.

filename: The name of the file into which the molecule display is being written. The extension of the filename determine the type of the image.
disp: The OE2DMolDisplay object that holds the data necessary to depict the molecule with which it is initialized.
clearbackground: Determines whether or not the image is cleared (by calling OEImageBase.Clear method) prior to the molecule rendering.

Example:

oedepict.OEPrepareDepiction(mol)

opts = oedepict.OE2DMolDisplayOptions(200.0, 200.0, oedepict.OEScale_AutoScale)
disp = oedepict.OE2DMolDisplay(mol, opts)
oedepict.OERenderMolecule("OERenderMolecule-fname-disp.png", disp)

See also

OE2DMolDisplay class

bool OERenderMolecule(const std::string &filename, const OEChem::OEMolBase &mol,
                      bool clearbackground=true)

Writes a molecule into a file using the default depiction style.

filename: The name of the file into which the molecule is written. The extension of the filename determine the type of the image.
mol: The molecule being rendered has to have valid 2D coordinates before calling the OERenderMolecule function.
clearbackground: Determines whether or not the image is cleared (by calling OEImageBase.Clear method) prior to the molecule rendering.

Example:

oedepict.OEPrepareDepiction(mol)

oedepict.OERenderMolecule("OERenderMolecule-fname-mol.png", mol)

bool OERenderMolecule(OEPlatform::oeostream &os, const std::string &extension,
                      const OE2DMolDisplay &disp, bool clearbackground=true)

Writes the molecule display into a stream.

os: The stream into which the molecule display is being written.
ext: The extension which determine the type of the image.
disp: The OE2DMolDisplay object that holds the data necessary to depict the molecule with which it is initialized.
clearbackground: Determines whether or not the image is cleared (by calling OEImageBase.Clear method) prior to the molecule rendering.

Example:

oedepict.OEPrepareDepiction(mol)

opts = oedepict.OE2DMolDisplayOptions(200.0, 200.0, oedepict.OEScale_AutoScale)
disp = oedepict.OE2DMolDisplay(mol, opts)

ofs = oechem.oeofstream("OERenderMolecule-stream-disp.png")
oedepict.OERenderMolecule(ofs, "png", disp)

See also

oeostream class in the OEChem TK manual
OE2DMolDisplay class

bool OERenderMolecule(OEPlatform::oeostream &os, const std::string &extension,
                      const OEChem::OEMolBase &mol, bool clearbackground=true)

Writes a molecule into a stream using the default depiction style.

os: The stream into which the molecule is being written.
ext: The extension which determine the type of the image.
mol: The molecule being rendered has to have valid 2D coordinates before calling the OERenderMolecule function.
clearbackground: Determines whether or not the image is cleared (by calling OEImageBase.Clear method) prior to the molecule rendering.

Example:

oedepict.OEPrepareDepiction(mol)

ofs = oechem.oeofstream("OERenderMolecule-stream-mol.png")
oedepict.OERenderMolecule(ofs, "png", mol)

See also

oeostream class in the OEChem TK manual