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VirtualSiteTopology::VirtualSiteAngle Struct Reference

Description

Helper struct for single angle in virtual site.

Public Member Functions

 VirtualSiteAngle (const std::string &a1, const std::string &a2, const std::string &a3, real v)
 Explicit constructor. More...
 

Public Attributes

std::string atom1
 Atom 1 in angle.
 
std::string atom2
 Atom 2 in angle.
 
std::string atom3
 Atom 3 in angle.
 
float value
 Value for angle.
 

Constructor & Destructor Documentation

VirtualSiteTopology::VirtualSiteAngle::VirtualSiteAngle ( const std::string &  a1,
const std::string &  a2,
const std::string &  a3,
real  v 
)
inline

Explicit constructor.

Parameters
[in]a1First atom name.
[in]a2Second atom name.
[in]a3Third atom name.
[in]vValue for angle.

The documentation for this struct was generated from the following file: