OEValidateDesignUnit

Attention

PRELIMINARY-IMAGE This is a preliminary API and may be improved based on user feedback. It 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.

operator=

OEValidateDesignUnit& operator=(const OEValidateDesignUnit& rhs);

Assignment operator.

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