OEMolPropertyList

class OEMolPropertyList

This class is a container for multiple OEMolPropertyFxn objects.

Constructors

OEMolPropertyList()=default
OEMolPropertyList(const OEMolPropertyList &)

Default and copy constructors.

operator=

OEMolPropertyList &operator=(const OEMolPropertyList &)

The assignment operator.

Add

void Add(const OEMolPropertyFxn &)

Adds a copy of the specified property function to the list.

Clear

void Clear()

Clears the list of property functions.

CreateCopy

OEMolPropertyList *CreateCopy() const

Returns a copy of this OEMolPropertyList object.

GetProperty

double GetProperty(const OEChem::OEMolBase &, size_t index) const
double GetProperty(const OEChem::OEMCMolBase &, size_t index) const

Returns the property value for the specified molecule, for the function located at the specified index in the list. Method returns a large number (limiting large double in C++) when a value is not found.

GetSize

size_t GetSize() const

Returns the current number of OEMolPropertyFxn objects in the list.

HasProperties

bool HasProperties(const OEChem::OEMolBase &) const
bool HasProperties(const OEChem::OEMCMolBase &) const

Checks if the all of the property values exist for the specified molecule. Returns False if at least of the property value does not exist.