OEValidateDesignUnit¶
Attention
This API is currently available in C++ and Python.
class class OESPRUCE_API OEValidateDesignUnit
This class represents OEValidateDesignUnit that performs a structural check afte running spruce prep
Constructors¶
OEValidateDesignUnit();
Default constructor for OEValidateDesignUnit class
OEValidateDesignUnit(const OEValidateDesignUnit& rhs);
Copy constructor.
Validate¶
unsigned Validate(OEBio::OEDesignUnit& du);
Returns a code which indicates the issues that are detected for this structure
GetMessages¶
std::string GetMessages(const unsigned errorTypes = OEDesignUnitIssueCodes::ALL);
Returns the error message according to the provided error code
GetAtoms¶
std::vector<OEChem::OEResidue> GetProblematicResidues(const unsigned errorTypes = OEDesignUnitIssueCodes::ALL);
Returns the problematic residues that have the issues indicated by the input error code