Gromacs
2024.4
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Stores information about single virtual site bonded parameter.
Public Member Functions | |
VsiteBondParameter (int ftype, const InteractionOfType &vsiteInteraction) | |
Constructor initializes datastructure. | |
Public Attributes | |
int | ftype_ |
Function type for virtual site. | |
const InteractionOfType & | vsiteInteraction_ |
Interaction type data. More... | |
const InteractionOfType& VsiteBondParameter::vsiteInteraction_ |
Interaction type data.
The datastructure should never be used in a case where the InteractionType used to construct it might go out of scope before this object, as it would cause the reference to type_ to dangle.