OEHBondInteractionHint

class OEHBondInteractionHint : public OEInteractionHintTypeBase

The OEHBondInteractionHint class represents a built-in type that identifies interactions stored in an OEInteractionHintContainer object as hydrogen bond interactions (inter- and intramolecular).

See also

• OEHBondInteractionHintType namespace for specific hydrogen bond interaction types

• OEIsHBondInteractionHint predicate

• OEIsIntermolecularHBondInteractionHint predicate

• OEIsIntramolecularHBondInteractionHint predicate

• OEInteractionHint class

• OEInteractionHintContainer class

To perceive hydrogen bond interactions:

• OEPerceiveInteractionHints function

• OEPerceiveInteractionOptions class and its methods:

  • OEPerceiveInteractionOptions.SetMaxAcceptorAngle

  • OEPerceiveInteractionOptions.SetMaxChargeAidedHBondDistance

  • OEPerceiveInteractionOptions.SetMaxDonorAngle

  • OEPerceiveInteractionOptions.SetMaxHBondDistance

  • OEPerceiveInteractionOptions.SetMaxUnpairedAngle

  • OEPerceiveInteractionOptions.SetMaxUnpairedDistance

  • OEPerceiveInteractionOptions.SetMinHBondContactFraction

The following methods are publicly inherited from OEInteractionHintTypeBase:

operator=	operator==	GetName
operator!=	CreateCopy	IsValid

Constructors

OEHBondInteractionHint(type: int, charged: bool = False) -> OEHBondInteractionHint

type

This value has to be from the OEHBondInteractionHintType namespace.

Note

Two OEHBondInteractionHint objects with different types from the OEHBondInteractionHintType namespace and/or with different charge options are considered to be different.

OEHBondInteractionHint(rhs: OEHBondInteractionHint) -> OEHBondInteractionHint

Copy constructor.

CreateCopy

CreateCopy() -> OEInteractionHintTypeBase

Deep copy constructor that returns a copy of the object. The memory for the returned OEHBondInteractionHint object is dynamically allocated and owned by the caller.

GetHBondType

GetHBondType() -> int

Returns the type of the OEHBondInteractionHint object. The return value is taken from the OEHBondInteractionHintType namespace.

IsCharged

IsCharged() -> bool

Returns whether or not the OEHBondInteractionHint object represents a charged interaction.

IsValid

IsValid(arg2: OEInteractionHintFragment,
        arg3: OEInteractionHintFragment) -> bool

Evaluates whether the two given fragments would form a valid hydrogen bond interaction when added to an OEInteractionHintContainer object.

Interactions with the OEHBondInteractionHint type can be either intermolecular or intramolecular.