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colvarscript Class Reference

#include <colvarscript.h>

List of all members.

Public Types

enum  command {
  COMM, HELP, N_ARGS_MIN, N_ARGS_MAX,
  ARGS, cv_addenergy, VMD, add
}
 Commands available. More...

enum  Object_type { use_module, use_colvar, use_bias }
 Type of object handling a script command. More...


Public Methods

 colvarscript (colvarproxy *p, colvarmodule *m)
 ~colvarscript ()
int run (int objc, unsigned char *const objv[])
 Run a script command with space-separated positional arguments (objects). More...

std::string const & str_result () const
 Get the string result of the current scripting call. More...

std::stringmodify_str_result ()
 Modify the string result of the current scripting call. More...

int set_result_str (std::string const &s)
 Set the return value to the given string. More...

int clear_str_result ()
 Clear the string result. More...

void add_error_msg (std::string const &s)
 Add the given string to the error message of the script interface. More...

std::string get_cmd_prefix (Object_type t)
 Return the prefix of the individual command for each object function. More...

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). More...

unsigned char * get_module_cmd_arg (int iarg, int objc, unsigned char *const objv[])
 Instantiation of get_cmd_arg<> for module-level commands. More...

unsigned char * get_colvar_cmd_arg (int iarg, int objc, unsigned char *const objv[])
 Instantiation of get_cmd_arg<> for colvar-level commands. More...

unsigned char * get_bias_cmd_arg (int iarg, int objc, unsigned char *const objv[])
 Instantiation of get_cmd_arg<> for bias-level commands. More...

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. More...

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. More...

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. More...

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. More...

template<colvarscript::Object_type T> int cmd_arg_shift ()
 Number of positional arguments to shift for each object type. More...

char const ** get_command_names () const
 Get names of all commands. More...

char const * 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").
More...


char const * 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").
More...


char const * 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" }.
More...


int 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").
More...


int 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").
More...


char const * 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").
More...


std::string get_cmdline_help_summary (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.
More...


std::string get_command_cmdline_syntax (Object_type t, command c)
 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.
More...


std::string get_command_cmdline_help (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").
More...


int unsupported_op ()
 Set error code for unsupported script operation. More...

colvarmodulemodule ()
 Pointer to the Colvars main object. More...

colvarproxyproxy ()
 Pointer to the colvarproxy object (interface with host engine). More...

char * obj_to_str (unsigned char *obj)
 Get the string representation of an object (by default, a simple cast). More...

std::vector< std::stringobj_to_str_vector (unsigned char *obj)
 Get a list of strings from an object (does not work with a simple cast). More...

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. More...

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. More...

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. More...

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. More...

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. More...

int set_result_real_vec (std::vector< cvm::real > const &x, unsigned char *obj=NULL)
 Copy x into obj if not NULL, or into the script object's result otherwise. More...

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. More...

int set_result_rvector_vec (std::vector< cvm::rvector > const &x, unsigned char *obj=NULL)
 Copy x into obj if not NULL, or into the script object's result otherwise. More...

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. More...

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. More...

int proc_features (colvardeps *obj, int argc, unsigned char *const argv[])
 Run subcommands on base colvardeps object (colvar, bias, ...). More...

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)

Public Attributes

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


Friends

class colvarproxy


Member Enumeration Documentation

enum colvarscript::command
 

Commands available.

Enumeration values:
COMM 
HELP 
N_ARGS_MIN 
N_ARGS_MAX 
ARGS 
cv_addenergy 
VMD 
add 

Definition at line 73 of file colvarscript.h.

enum colvarscript::Object_type
 

Type of object handling a script command.

Enumeration values:
use_module 
use_colvar 
use_bias 

Definition at line 1186 of file colvarscript.h.


Constructor & Destructor Documentation

colvarscript::colvarscript colvarproxy   p,
colvarmodule   m
 

Definition at line 34 of file colvarscript.C.

References colvarmodule::error, colvarproxy_tcl::get_tcl_interp, colvarproxy_tcl::init_tcl_pointers, colvarmodule::log, NULL, proxy, and tcl_run_colvarscript_command.

colvarscript::~colvarscript  
 

Definition at line 57 of file colvarscript.C.

References NULL.


Member Function Documentation

void colvarscript::add_error_msg std::string const &    s
 

Add the given string to the error message of the script interface.

Definition at line 1689 of file colvarscript.C.

int colvarscript::check_bias_cmd_nargs char const *    cmd,
int    objc,
int    n_args_min,
int    n_args_max
[inline]
 

Instantiation of get_cmd_arg<> for bias-level commands.

Definition at line 1507 of file colvarscript.h.

template<colvarscript::Object_type T>
int colvarscript::check_cmd_nargs char const *    cmd,
int    objc,
int    n_args_min,
int    n_args_max
 

Check the argument count of the command.

Definition at line 1467 of file colvarscript.h.

int colvarscript::check_colvar_cmd_nargs char const *    cmd,
int    objc,
int    n_args_min,
int    n_args_max
[inline]
 

Instantiation of check_cmd_nargs<> for colvar-level commands.

Definition at line 1498 of file colvarscript.h.

int colvarscript::check_module_cmd_nargs char const *    cmd,
int    objc,
int    n_args_min,
int    n_args_max
[inline]
 

Instantiation of check_cmd_nargs<> for module-level commands.

Definition at line 1489 of file colvarscript.h.

int colvarscript::clear_str_result  
 

Clear the string result.

Definition at line 1699 of file colvarscript.C.

template<colvarscript::Object_type T>
int colvarscript::cmd_arg_shift  
 

Number of positional arguments to shift for each object type.

Definition at line 1517 of file colvarscript.h.

unsigned char * colvarscript::get_bias_cmd_arg int    iarg,
int    objc,
unsigned char *const    objv[]
[inline]
 

Instantiation of get_cmd_arg<> for bias-level commands.

Definition at line 1459 of file colvarscript.h.

template<colvarscript::Object_type T>
unsigned char * colvarscript::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).

Definition at line 1436 of file colvarscript.h.

std::string colvarscript::get_cmd_prefix Object_type    t
 

Return the prefix of the individual command for each object function.

Definition at line 1268 of file colvarscript.C.

std::string colvarscript::get_cmdline_help_summary 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.

Definition at line 1395 of file colvarscript.C.

unsigned char * colvarscript::get_colvar_cmd_arg int    iarg,
int    objc,
unsigned char *const    objv[]
[inline]
 

Instantiation of get_cmd_arg<> for colvar-level commands.

Definition at line 1452 of file colvarscript.h.

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" }.

Definition at line 1309 of file colvarscript.C.

Referenced by cvscript_command_arghelp.

std::string colvarscript::get_command_cmdline_help 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").

Definition at line 1427 of file colvarscript.C.

std::string colvarscript::get_command_cmdline_syntax Object_type    t,
command    c
 

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.

Definition at line 1357 of file colvarscript.C.

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").

Definition at line 1345 of file colvarscript.C.

Referenced by cvscript_command_full_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").

Definition at line 1285 of file colvarscript.C.

Referenced by cvscript_command_help.

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").

Definition at line 1333 of file colvarscript.C.

Referenced by cvscript_command_n_args_max.

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").

Definition at line 1321 of file colvarscript.C.

Referenced by cvscript_command_n_args_min.

char const** colvarscript::get_command_names   const [inline]
 

Get names of all commands.

Definition at line 1233 of file colvarscript.h.

Referenced by cvscript_command_names.

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").

Definition at line 1297 of file colvarscript.C.

Referenced by cvscript_command_rethelp.

unsigned char * colvarscript::get_module_cmd_arg int    iarg,
int    objc,
unsigned char *const    objv[]
[inline]
 

Instantiation of get_cmd_arg<> for module-level commands.

Definition at line 1445 of file colvarscript.h.

std::string& colvarscript::modify_str_result   [inline]
 

Modify the string result of the current scripting call.

Definition at line 58 of file colvarscript.h.

References str_result_.

colvarmodule* colvarscript::module   [inline]
 

Pointer to the Colvars main object.

Definition at line 1283 of file colvarscript.h.

char * colvarscript::obj_to_str unsigned char *    obj
 

Get the string representation of an object (by default, a simple cast).

Definition at line 1545 of file colvarscript.C.

std::vector< std::string > colvarscript::obj_to_str_vector unsigned char *    obj
 

Get a list of strings from an object (does not work with a simple cast).

Definition at line 1556 of file colvarscript.C.

int colvarscript::proc_features colvardeps   obj,
int    argc,
unsigned char *const    argv[]
 

Run subcommands on base colvardeps object (colvar, bias, ...).

Definition at line 1599 of file colvarscript.C.

colvarproxy* colvarscript::proxy   [inline]
 

Pointer to the colvarproxy object (interface with host engine).

Definition at line 1289 of file colvarscript.h.

Referenced by colvarscript.

int colvarscript::run int    objc,
unsigned char *const    objv[]
 

Run a script command with space-separated positional arguments (objects).

Definition at line 1441 of file colvarscript.C.

int colvarscript::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.

Definition at line 2006 of file colvarscript.C.

int colvarscript::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.

Definition at line 2011 of file colvarscript.C.

int colvarscript::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.

Definition at line 1966 of file colvarscript.C.

int colvarscript::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.

Definition at line 1970 of file colvarscript.C.

int colvarscript::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.

Definition at line 1976 of file colvarscript.C.

int colvarscript::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.

Definition at line 1980 of file colvarscript.C.

int colvarscript::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.

Definition at line 1986 of file colvarscript.C.

int colvarscript::set_result_real_vec std::vector< cvm::real > const &    x,
unsigned char *    obj = NULL
 

Copy x into obj if not NULL, or into the script object's result otherwise.

Definition at line 1990 of file colvarscript.C.

int colvarscript::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.

Definition at line 1996 of file colvarscript.C.

int colvarscript::set_result_rvector_vec std::vector< cvm::rvector > const &    x,
unsigned char *    obj = NULL
 

Copy x into obj if not NULL, or into the script object's result otherwise.

Definition at line 2000 of file colvarscript.C.

int colvarscript::set_result_str std::string const &    s
 

Set the return value to the given string.

Definition at line 1677 of file colvarscript.C.

template<>
int colvarscript::set_result_text std::vector< colvarvalue > const &    x,
unsigned char *    obj
 

Definition at line 1953 of file colvarscript.C.

template<>
int colvarscript::set_result_text std::vector< cvm::rvector > const &    x,
unsigned char *    obj
 

Definition at line 1942 of file colvarscript.C.

template<>
int colvarscript::set_result_text std::vector< cvm::real > const &    x,
unsigned char *    obj
 

Definition at line 1930 of file colvarscript.C.

template<>
int colvarscript::set_result_text cvm::real const &    x,
unsigned char *    obj
 

Definition at line 1924 of file colvarscript.C.

template<>
int colvarscript::set_result_text std::vector< long int > const &    x,
unsigned char *    obj
 

Definition at line 1915 of file colvarscript.C.

template<>
int colvarscript::set_result_text long int const &    x,
unsigned char *    obj
 

Definition at line 1909 of file colvarscript.C.

template<>
int colvarscript::set_result_text std::vector< int > const &    x,
unsigned char *    obj
 

Definition at line 1900 of file colvarscript.C.

template<>
int colvarscript::set_result_text int const &    x,
unsigned char *    obj
 

Definition at line 1894 of file colvarscript.C.

std::string const& colvarscript::str_result   const [inline]
 

Get the string result of the current scripting call.

Definition at line 52 of file colvarscript.h.

References str_result_.

int colvarscript::unsupported_op  
 

Set error code for unsupported script operation.

Definition at line 1670 of file colvarscript.C.


Friends And Related Function Documentation

friend class colvarproxy [friend]
 

Definition at line 39 of file colvarscript.h.


Member Data Documentation

std::string colvarscript::str_result_
 

String representation of the result of a script call.

Definition at line 46 of file colvarscript.h.

Referenced by modify_str_result, and str_result.


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