OEReadReceptorFromString¶
bool OEReadReceptorFromString(OEMolBase &mol, const std::string &format, const std::string &data)
bool OEReadReceptorFromString(OEMolBase &mol, unsigned format, unsigned flavor, bool gzip, const std::string &data)
bool OEReadReceptorFromString(OEMCMolBase &mol, const std::string &format, const std::string &data)
bool OEReadReceptorFromString(OEMCMolBase &mol, unsigned format, unsigned flavor, bool gzip, const std::string &data)
Instantiates a receptor from the contents of ‘data’ in terms of ‘format’. ‘format’ must be a file extension
that is readable by OpenEye, for example: “.oeb.gz”. Overloads which take
an unsigned ‘format’, unsigned ‘flavor’ and Boolean ‘gzip’ parameters expect
the format and corresponding flavor to be specified by one of the constants
in OEFormat
and OEIFlavor
.
Returns ‘true’ if decoding was successful and the decoded molecule is identified as a receptor.
std::string bytes = OEWriteReceptorToString(".oeb", receptor);
OEGraphMol receptorIO;
bool status = OEReadReceptorFromString(receptorIO, ".oeb", bytes);
std::string bytes = OEWriteReceptorToString(".oeb.gz", receptor);
OEGraphMol receptorIO;
bool status = OEReadReceptorFromString(receptorIO, ".oeb.gz", bytes);
bool gzip = false;
std::string bytes = OEWriteReceptorToString(OEFormat::OEB, OEGetDefaultOFlavor(OEFormat::OEB), gzip, receptor);
OEGraphMol receptorIO;
bool status = OEReadReceptorFromString(receptorIO, OEFormat::OEB, OEGetDefaultIFlavor(OEFormat::OEB), gzip, bytes);
bool gzip = true;
std::string bytes = OEWriteReceptorToString(OEFormat::OEB, OEGetDefaultOFlavor(OEFormat::OEB), gzip, receptor);
OEGraphMol receptorIO;
bool status = OEReadReceptorFromString(receptorIO, OEFormat::OEB, OEGetDefaultIFlavor(OEFormat::OEB), gzip, bytes);