colvarproxy_script Class Reference

Methods for scripting language interface (Tcl or Python). More...

Inheritance diagram for colvarproxy_script:

Public Methods
	colvarproxy_script ()
	Constructor. More...
virtual	~colvarproxy_script ()
	Destructor. More...
virtual int	run_force_callback ()
	Run a user-defined colvar forces script. More...
virtual int	run_colvar_callback (std::string const &name, std::vector< const colvarvalue * > const &cvcs, colvarvalue &value)
virtual int	run_colvar_gradient_callback (std::string const &name, std::vector< const colvarvalue * > const &cvcs, std::vector< cvm::matrix2d< cvm::real > > &gradient)
Public Attributes
colvarscript *	script
	Pointer to the scripting interface object (does not need to be allocated in a new interface). More...
bool	have_scripts
	Do we have a scripting interface? More...

Detailed Description

Methods for scripting language interface (Tcl or Python).

Definition at line 535 of file colvarproxy.h.

colvarproxy_script::colvarproxy_script ( )

Constructor.

Definition at line 421 of file colvarproxy.C.
References have_scripts, NULL, and script.

colvarproxy_script::~colvarproxy_script ( ) [virtual]

Destructor.

Definition at line 428 of file colvarproxy.C.
References NULL, and script.

int colvarproxy_script::run_colvar_callback ( std::string const & name,

std::vector< const colvarvalue * > const & cvcs,

colvarvalue & value

) [virtual]

Reimplemented in colvarproxy_vmd.
Definition at line 443 of file colvarproxy.C.
References COLVARS_NOT_IMPLEMENTED.

int colvarproxy_script::run_colvar_gradient_callback ( std::string const & name,

std::vector< const colvarvalue * > const & cvcs,

std::vector< cvm::matrix2d< cvm::real > > & gradient

) [virtual]

Reimplemented in colvarproxy_vmd.
Definition at line 451 of file colvarproxy.C.
References COLVARS_NOT_IMPLEMENTED.

int colvarproxy_script::run_force_callback ( ) [virtual]

Run a user-defined colvar forces script.

Reimplemented in colvarproxy_vmd.
Definition at line 437 of file colvarproxy.C.
References COLVARS_NOT_IMPLEMENTED.
Referenced by colvarmodule::calc_scripted_forces.

bool colvarproxy_script::have_scripts

Do we have a scripting interface?

Definition at line 550 of file colvarproxy.h.
Referenced by colvarproxy_script, and colvarproxy_vmd::colvarproxy_vmd.

colvarscript* colvarproxy_script::script

Pointer to the scripting interface object (does not need to be allocated in a new interface).

Definition at line 547 of file colvarproxy.h.
Referenced by colvarmodule::colvarmodule, colvarproxy_script, and ~colvarproxy_script.

The documentation for this class was generated from the following files:

Generated on Fri Nov 8 02:46:54 2024 for VMD (current) by