Collective Variables Module - Developer Documentation
Public Types | Public Member Functions | Public Attributes | Friends | List of all members
colvarscript Class Reference

Public Types

enum  command {
  cv_help, cv_version, cv_config, cv_configfile,
  cv_reset, cv_delete, cv_list, cv_list_biases,
  cv_load, cv_save, cv_update, cv_addenergy,
  cv_getenergy, cv_printframe, cv_printframelabels, cv_frame,
  cv_colvar, cv_colvar_value, cv_colvar_update, cv_colvar_type,
  cv_colvar_delete, cv_colvar_addforce, cv_colvar_getappliedforce, cv_colvar_gettotalforce,
  cv_colvar_cvcflags, cv_colvar_getconfig, cv_colvar_get, cv_colvar_set,
  cv_bias, cv_bias_energy, cv_bias_update, cv_bias_delete,
  cv_bias_getconfig, cv_bias_get, cv_bias_set, cv_n_commands
}
 

Public Member Functions

 colvarscript (colvarproxy *p)
 
int run (int objc, unsigned char *const objv[])
 Run script command with given positional arguments (objects) More...
 
void set_str_result (std::string const &s)
 Set the return value of the script command to the given string.
 
std::string help_string (void) const
 Build and return a short help.
 
char const * obj_to_str (unsigned char *const obj)
 Use scripting language to get the string representation of an object.
 
int exec_command (command c, void *pobj, int objc, unsigned char *const *objv)
 Execute a script command.
 
std::string command_help (colvarscript::command c) const
 Get help for a command (TODO reformat for each language?)
 
void clear_results ()
 Clear all object results.
 

Public Attributes

int proxy_error
 
std::string result
 

Friends

class colvarproxy
 

Member Function Documentation

◆ run()

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

Run script command with given positional arguments (objects)

Run method based on given arguments.

Delete every child object

Parse config from file

Parse config from string

Load an input state file

Save to an output state file

Print the values that would go on colvars.traj

Member Data Documentation

◆ proxy_error

int colvarscript::proxy_error

If an error is caught by the proxy through fatal_error(), this is set to COLVARSCRIPT_ERROR

◆ result

std::string colvarscript::result

If an error is returned by one of the methods, it should set this to the error message


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