colvarscript Class Reference

Collaboration diagram for colvarscript:

Public Types
enum	command { cv_n_commands }
	Commands available.
enum	Object_type { use_module , use_colvar , use_bias }
	Type of object handling a script command.

Public Member Functions
	colvarscript (colvarproxy *p, colvarmodule *m)
int	run (int objc, unsigned char *const objv[])
	Run a script command with space-separated positional arguments (objects)
std::string const &	str_result () const
	Get the string result of the current scripting call.
std::string &	modify_str_result ()
	Modify the string result of the current scripting call.
int	set_result_str (std::string const &s)
	Set the return value to the given string.
int	clear_str_result ()
	Clear the string result.
void	add_error_msg (std::string const &s)
	Add the given string to the error message of the script interface.
std::string	get_cmd_prefix (Object_type t)
	Return the prefix of the individual command for each object function.
template<Object_type T>
unsigned char *	get_cmd_arg (int iarg, int objc, unsigned char *const objv[])
	Get a pointer to the i-th argument of the command (NULL if not given)
unsigned char *	get_module_cmd_arg (int iarg, int objc, unsigned char *const objv[])
	Instantiation of get_cmd_arg<> for module-level commands.
unsigned char *	get_colvar_cmd_arg (int iarg, int objc, unsigned char *const objv[])
	Instantiation of get_cmd_arg<> for colvar-level commands.
unsigned char *	get_bias_cmd_arg (int iarg, int objc, unsigned char *const objv[])
	Instantiation of get_cmd_arg<> for bias-level commands.
template<Object_type T>
int	check_cmd_nargs (char const *cmd, int objc, int n_args_min, int n_args_max)
	Check the argument count of the command.
int	check_module_cmd_nargs (char const *cmd, int objc, int n_args_min, int n_args_max)
	Instantiation of check_cmd_nargs<> for module-level commands.
int	check_colvar_cmd_nargs (char const *cmd, int objc, int n_args_min, int n_args_max)
	Instantiation of check_cmd_nargs<> for colvar-level commands.
int	check_bias_cmd_nargs (char const *cmd, int objc, int n_args_min, int n_args_max)
	Instantiation of get_cmd_arg<> for bias-level commands.
template<colvarscript::Object_type T>
int	cmd_arg_shift ()
	Number of positional arguments to shift for each object type.
char const **	get_command_names () const
	Get names of all commands.
char const *	get_command_help (char const *cmd)
char const *	get_command_rethelp (char const *cmd)
char const *	get_command_arghelp (char const *cmd, int i)
int	get_command_n_args_min (char const *cmd)
int	get_command_n_args_max (char const *cmd)
void	set_cmdline_main_cmd (std::string const &cmd)
	Set the main command for the CLI, when it is not "cv" (e.g. LAMMPS)
char const *	get_command_full_help (char const *cmd)
std::string	get_cmdline_help_summary (Object_type t)
std::string	get_command_cmdline_syntax (Object_type t, command c)
std::string	get_command_cmdline_help (Object_type t, std::string const &cmd)
int	unsupported_op ()
	Set error code for unsupported script operation.
colvarmodule *	module ()
	Pointer to the Colvars main object.
colvarproxy *	proxy ()
	Pointer to the colvarproxy object (interface with host engine)
char *	obj_to_str (unsigned char *obj)
	Get the string representation of an object (by default, a simple cast)
std::vector< std::string >	obj_to_str_vector (unsigned char *obj)
	Get a list of strings from an object (does not work with a simple cast)
int	set_result_int (int const &x, unsigned char *obj=NULL)
	Copy x into obj if not NULL, or into the script object's result otherwise.
int	set_result_int_vec (std::vector< int > const &x, unsigned char *obj=NULL)
	Copy x into obj if not NULL, or into the script object's result otherwise.
int	set_result_long_int (long int const &x, unsigned char *obj=NULL)
	Copy x into obj if not NULL, or into the script object's result otherwise.
int	set_result_long_int_vec (std::vector< long int > const &x, unsigned char *obj=NULL)
	Copy x into obj if not NULL, or into the script object's result otherwise.
int	set_result_real (cvm::real const &x, unsigned char *obj=NULL)
	Copy x into obj if not NULL, or into the script object's result otherwise.
template<typename T >
int	set_result_real_vec (T const &x, unsigned char *obj=NULL)
	Copy x into obj if not NULL, or into the script object's result otherwise.
int	set_result_rvector (cvm::rvector const &x, unsigned char *obj=NULL)
	Copy x into obj if not NULL, or into the script object's result otherwise.
template<typename T >
int	set_result_rvector_vec (T const &x, unsigned char *obj=NULL)
	Copy x into obj if not NULL, or into the script object's result otherwise.
int	set_result_colvarvalue (colvarvalue const &x, unsigned char *obj=NULL)
	Copy x into obj if not NULL, or into the script object's result otherwise.
int	set_result_colvarvalue_vec (std::vector< colvarvalue > const &x, unsigned char *obj=NULL)
	Copy x into obj if not NULL, or into the script object's result otherwise.
int	proc_features (colvardeps *obj, int argc, unsigned char *const argv[])
	Run subcommands on base colvardeps object (colvar, bias, ...)
template<>
int	set_result_text (int const &x, unsigned char *obj)
template<>
int	set_result_text (std::vector< int > const &x, unsigned char *obj)
template<>
int	set_result_text (long int const &x, unsigned char *obj)
template<>
int	set_result_text (std::vector< long int > const &x, unsigned char *obj)
template<>
int	set_result_text (cvm::real const &x, unsigned char *obj)
template<>
int	set_result_text (std::vector< cvm::real > const &x, unsigned char *obj)
template<>
int	set_result_text (std::vector< cvm::rvector > const &x, unsigned char *obj)
template<>
int	set_result_text (std::vector< colvarvalue > const &x, unsigned char *obj)
template<>
int	set_result_real_vec (std::vector< cvm::real > const &x, unsigned char *obj)
template<>
int	set_result_rvector_vec (std::vector< cvm::rvector > const &x, unsigned char *obj)

Public Attributes
std::string	str_result_
	String representation of the result of a script call.

Private Member Functions
int	init_commands ()
	Set up all script API functions.
int	init_command (colvarscript::command const &comm, char const *name, char const *help, int n_args_min, int n_args_max, char const *arghelp, int(*fn)(void *, int, unsigned char *const *))
	Set up a single script API function.
template<typename T >
int	set_result_text (T const &x, unsigned char *obj)
	Set obj equal to x, using its string representation.
template<typename T >
int	pack_vector_elements_text (T const &x, std::string &x_str)
	Code reused by instances of set_result_text()
int	set_result_text_from_str (std::string const &x_str, unsigned char *obj)
	Code reused by all instances of set_result_text()

Private Attributes
colvarproxy *	proxy_
colvarmodule *	colvars
std::map< std::string, command >	cmd_str_map
	Internal identifiers of command strings.
std::string	cmdline_main_cmd_
	Main command used in command line ("cv" by default)
char const **	cmd_names
	Inverse of cmd_str_map (to be exported outside this class)
std::vector< std::string >	cmd_help
	Help strings for each command.
std::vector< std::string >	cmd_rethelp
	Description of the return values of each command (may be empty)
std::vector< size_t >	cmd_n_args_min
	Minimum number of arguments for each command.
std::vector< size_t >	cmd_n_args_max
	Maximum number of arguments for each command.
std::vector< std::vector< std::string > >	cmd_arghelp
	Help strings for each command argument.
std::vector< std::string >	cmd_full_help
	Full help strings for each command.
std::vector< int(*)(void *, int, unsigned char *const *)>	cmd_fns
	Implementations of each command.
int(*)(void *, int, unsigned char *const *)	get_cmd_fn (std::string const &cmd_key)
	Get a pointer to the implementation of the given command.

Friends
class	colvarproxy

Member Function Documentation

get_cmdline_help_summary()

std::string colvarscript::get_cmdline_help_summary

(

colvarscript::Object_type

t

)

Get summary of command line syntax for all commands of a given context

Parameters

t	One of use_module, use_colvar or use_bias

get_command_arghelp()

char const * colvarscript::get_command_arghelp	(	char const *	cmd,
		int	i
	)

Get description of the argument of a command (excluding prefix)

Parameters

cmd	Name of the command's function (e.g. "cv_units")
i	Index of the argument; 0 is the first argument after the prefix, e.g. "value" has an index of 0 in the array of arguments: { "cv", "colvar", "xi", "value" }

get_command_cmdline_help()

std::string colvarscript::get_command_cmdline_help	(	colvarscript::Object_type	t,
		std::string const &	cmd
	)

Get the command line syntax following by the help string

Parameters

t	One of use_module, use_colvar or use_bias
cmd	Name of the subcommand (e.g. "units")

get_command_cmdline_syntax()

std::string colvarscript::get_command_cmdline_syntax	(	colvarscript::Object_type	t,
		colvarscript::command	cmd
	)

Get a description of how the command should be used in a command line

Parameters

t	One of use_module, use_colvar or use_bias
c	Value of the command enum

get_command_full_help()

char const * colvarscript::get_command_full_help

(

char const *

cmd

)

Get help string for a command (does not specify how it is launched)

Parameters

cmd	Name of the command's function (e.g. "cv_units")

get_command_help()

char const * colvarscript::get_command_help

(

char const *

cmd

)

Get one-line help summary for a command

Parameters

cmd	Name of the command's function (e.g. "cv_units")

get_command_n_args_max()

int colvarscript::get_command_n_args_max

(

char const *

cmd

)

Get number of total arguments (excluding prefix)

Parameters

cmd	Name of the command's function (e.g. "cv_units")

get_command_n_args_min()

int colvarscript::get_command_n_args_min

(

char const *

cmd

)

Get number of required arguments (excluding prefix)

Parameters

cmd	Name of the command's function (e.g. "cv_units")

get_command_rethelp()

char const * colvarscript::get_command_rethelp

(

char const *

cmd

)

Get description of the return value of a command

Parameters

cmd	Name of the command's function (e.g. "cv_units")

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

• colvarscript.h
• colvarscript.cpp