#include <harlemapp.h>
Inheritance diagram for HarlemApp:
Public Member Functions | |
| int | ProcessOptions () |
| int | InitFirst () |
| void | InitializeCommand () |
| int | ExecuteCommand () |
| Execute command in CurLine buffer. | |
| int | RasMolCmd (const char *cmd) |
| Execute command only in RASMOL command processor. | |
| int | ExecRasMolScript (const char *file_name) |
| Execute script consisting of RASMOl-like commands. | |
| int | ExecuteScriptFromFile (const char *script_fname) |
| Execute script from file. | |
| int | ExecuteScriptInString (const char *script_str) |
| Execute script in the string. | |
| ComputerAccount * | GetAccountByID (const char *acc_id) |
| int | ShowAccountsLoad () |
| Show load of remote accounts. | |
| int | ExecuteRemoteCmd (ComputerAccount *pacc, const char *cmd, StrVec &prog_output, int get_prog_output) |
| Execute Command on a remote computer. | |
| virtual void | Exit () |
| void | LoadInitFile () |
| void | StartWait () |
| Display Wait cursor to indicator the program is busy. | |
| void | EndWait () |
| End Wait, restore normal cursor. | |
| HaMolSet * | GetMolSetByName (const char *name) |
| Retrieve Molecular Set by name. | |
| void | AddMolSet (HaMolSet *pmset) |
| Add Molecular Set to the list of Molecular Sets. | |
| void | DeleteMolSet (HaMolSet *pmset) |
| Delete Molecular Set from the list of Molecular Sets. | |
| HaAtom * | GetAtomByRef (const char *at_ref) |
| Get Atom By Full Reference (including MolSet Name). | |
| void | calc_polar_gcontr () |
| void | save_grp_oper_mat () |
| void | calc_polar_contr_f () |
| void | read_polar_contr () |
| void | calc_beta_contr_2idx () |
| void | read_beta_contr_2idx () |
| void | calc_polar_contr_2idx () |
| void | read_polar_contr_2idx () |
| void | test_oper_1 () |
| void | test_oper_2 () |
| void | test_qcmod_1 () |
| void | dump_mol_info () |
| void | dump_gauss_bcommon () |
| void | dump_overlap () |
| void | dump_overlap2 () |
| void | test_min_1 () |
| function to test minimization class | |
| void | test_graph_1 () |
| function to test graph matching library | |
Static Public Member Functions | |
| long | RunExternalProgram (RunMode rmode, HaString prog_name, StrVec &prog_args, StrVec &prog_output, int get_prog_output=0) |
| Run external program. | |
| int | CheckProcIsActive (long proc_id) |
| Check if the process specified by proc id is running. | |
| int | KillProc (long proc_id) |
| Terminate the process specified by proc id. | |
| int | SwitchThread () |
| Switch execution to an another thread. | |
| int | SleepThread (int ms_delay) |
| Delay execution of the thread for ms_delay ms. | |
Public Attributes | |
| vector< ComputerAccount > | comp_accounts |
| accessible computer accounts | |
| int | Interactive |
| int | prog_argc |
| HaString | prog_args [100] |
| command line arguments | |
| HaString | finp_name |
| HaString | script_name |
| HaString | script_str |
| CmdParser | cmd_pr |
| Rasmol Command Processor. | |
| int | only_rasmol_command |
| Flag to execute only RASMOL type command in CurLine buffer. | |
| int | FileFormat |
Static Public Attributes | |
| char * | harlem_home_dir = NULL |
| HARLEM home directory. | |
| char * | script_dir = NULL |
| HARLEM script directory. | |
| char * | basis_dir = NULL |
| HARLEM quantum chemical gaussian basis set directory. | |
| char * | word_editor = NULL |
| external word editor name | |
| char * | manual_main_page = NULL |
| URL of the main manual page. | |
| char * | html_browser = NULL |
| Browser name. | |
Protected Attributes | |
| list< HaMolSet * > | molset_list |
1.3.6