Contents
Release 97.2, May 1998
Documentation Layout
1. Introduction
- What is Open Interface?
- Who Should Use Open Interface?
- Alternatives
- System Architecture
- Workbench
- Chembench
- Open Interface Toolkit
- Libraries
- Strategies
- Tools
- BCL
- OI
- DCB
- Approaches
- Properties
- Commands
2. Examples
- Example 1. Properties
- Example 2. Chembench/Workbench commands
- Example 3.DCB commands
- Instructions
- Makefile
- Source Code
- prop_example.c
- hydro.bcl
- flex.bcl
- atom_example.c
- mopac_example.c
- client_example.cexample
3. Workbench User Interface Concepts
- Introduction
- Structure of a Workbench Application
- Defining the Command Heirarchy
- Initialization
- Module Definition
- Menu Definition
- Command Definition
- Parameter Definition
- Parameter Compatibilities
- Associating Parameters and Commands
- Parameter Block Display Options
- Conditional Parameters
- Attaching Value-Aids to Parameters
- Parameter Block Control
- Command Callbacks
- Repeating the Same Command
- Calling a New Command
- Parameter Block Call Back Functions
- Parameter Access
- Additional User Interface Features
- Log File
- History and Alias
- Error and Information Messages
- Information Area
- Screen Dials
- Display and Window Control
4. Workbench Reference
- Function Descriptions
- alias_delete (lstring_t name)
- alias_get_value (lstring_t name, vlstring_t value)
- alias_new (lstring_t name, vlstring_t value)
- alias_print_all (void)
- app_adjust_stereo (int offset)
- app_clear_stereo (void)
- app_close_display (void)
- app_dispatch (void)
- app_init (void)
- app_init_display (void)
- app_pop_textport (void)
- app_push_textport (void)
- app_set_app_name (sstring_t appname, sstring_t version)
- app_set_full_screen (int on)
- app_set_global_cmd_preview (int (*func)())
- app_set_palette_color (int index, short r, short g, short b)
- app_set_stereo (void)
- cmd_activate (sstring_t mname, sstring_t cname)
- cmd_add_param (sstring_t mname, sstring_t cname, sstring_t pname)
- cmd_add_preview (sstring_t mname, sstring_t cname, int (*func)())
- cmd_execute (char *cmd_line)
- cmd_repeat (sstring_t mname, sstring_t cname)
- cmd_set_concurrent (sstring_t mname, sstring_t cname, int status)
- cmd_set_cleanup (sstring_t mname, sstring_t cname, int (*func)())
- cmd_set_display_status (sstring_t mname, sstring_t cname, int status)
- cmd_set_focus (sstring_t mname, sstring_t cname, sstring_t pname, int index)
- cmd_set_local_trigger (sstring_t mname, sstring_t cname, sstring_t pname)
- cmd_set_trigger (sstring_t mname, sstring_t cname, sstring_t pname)
- fkey_set (int n, char linel[8], char line2[8], int (*func)())
- history_print (void)
- history_set_buf_max (int size)
- info_add (lstring_t string)
- log_add_cmd (char cline[1024], char prefix[2])
- log_comment_cmd (void)
- log_execute (char *filename)
- log_remove_cmd (void)
- log_reset (void)
- log_save (char *filename)
- menu_add_cmd (sstring_t mname, sstring_t cname, int (*func)())
- menu_insert_space (sstring_t mname)
- menu_redef (sstring_t oldname, sstring_t newname)
- message_add_text (char *text)
- message_display (int implicit, int redflag)
- message_set_labels (char *left_string, char *right_string)
- message_set_text (char *text)
- message_set_width (int nchar)
- module_activate (sstring_t mname)
- module_close (sstring_t mname)
- module_gen_menus (sstring_t mname)
- module_open (sstring_t mname)
- menu_new (sstring_t mname, int object_or_group)
- module_set_default_menu (sstring_t cobj) jcb to check
- module_set_gdefault_menu (sstring_t cobj)
- module_set_name (sstring_t modname, sstring_t version)
- param_add_enum (sstring_t pname, lstring_t evalue)
- param_add_enum_unique (sstring_t pname, lstring_t evalue)
- param_add_enum_sort (sstring_t pname, lstring_t evalue)
- param_add_pick_func (sstring_t pname, int (*func)())
- param_add_pick_func_scope (sstring_t mname, sstring_t cname, sstring_t pname, int (*func)())
- param_add_postview (sstring_t pname, int (*func)())
- param_add_postview_scope (sstring_t mname, sstring_t cname, sstring_t pname, int (*func)())
- param_add_value_aid (sstring_t param, sstring_t vaname)
- param_add_value_aid_scope (sstring_t mname, sstring_t cname, sstring_t param,
sstring_t vaname)
- param_set_def_boolean (sstring_t pname, int bvalue)
- param_set_def_enum (sstring_t pname, lstring_t evalue)
- param_set_def_list (sstring_t pname, lstring_t evalue)
- param_set_def_integer (sstring_t pname, int ivalue)
- param_set_def_real (sstring_t pname, double rvalue)
- param_set_def_coord (sstring_t pname, float cvalue[3])
- param_set_def_sstring (sstring_t pname, sstring_t ssvalue)
- param_set_def_lstring (sstring_t pname, lstring_t lsvalue)
- param_set_def_ident (sstring_t pname, lstring_t ivalue)
- param_clear_enum (sstring_t pname)
- param_set_def_boolean_scope (sstring_t mname, sstring_t cname, sstring_t pname, int bvalue)
- param_set_def_enum_scope (sstring_t mname, sstring_t cname, sstring_t pname, lstring_t
evalue)
- param_set_def_list_scope (sstring_t mname, sstring_t cname, sstring_t pname, lstring_t evalue)
- param_set_def_integer_scope (sstring_t mname, sstring_t cname, sstring_t pname, int ivalue)
- param_set_def_real_scope (sstring_t mname, sstring_t cname, sstring_t pname, double rvalue)
- param_set_def_coord_scope (sstring_t mname, sstring_t cname, sstring_t pname, float
cvalue[3])
- param_set_def_sstring_scope (sstring_t mname, sstring_t cname, sstring_t pname, sstring_t
ssvalue)
- param_set_def_vlstring_scope (sstring_t mname, sstring_t cname, sstring_t pname,
lstring_t lsvalue)
- param_set_def_ident_scope (sstring_t mname, sstring_t cname, sstring_t pname,
lstring_t ivalue)
- param_get_boolean (sstring_t pname, int *pbool)
- param_get_enum (sstring_t pname, sstring_t penum)
- param_get_list (sstring_t pname, lstring_t penum)
- param_get_integer (sstring_t pname, int *pint)
- param_get_real (sstring_t pname, double *preal)
- param_get_coord (sstring_t pname, float pcoord[3])
- param_get_sstring (sstring_t pname, sstring_t psstring)
- param_get_vlstring (sstring_t pname, vlstring_t pvlstring)
- param_get_ident (sstring_t pname, lstring_t pident)
- param_get_boolean_scope (sstring_t mname, sstring_t cname, sstring_t pname, int *pbool)
- param_get_enum_scope (sstring_t mname, sstring_t cname, sstring_t pname, lstring_t penum)
- param_get_list_scope (sstring_t mname, sstring_t cname, sstring_t pname, sstring_t penum)
- param_get_integer_scope (sstring_t mname, sstring_t cname, sstring_t pname, int *pint)
- param_get_real_scope (sstring_t mname, sstring_t cname, sstring_t pname, double *preal)
- param_get_coord_scope (sstring_t mname, sstring_t cname, sstring_t pname, float pcoord[3])
- param_get_sstring_scope (sstring_t mname, sstring_t cname, sstring_t pname, sstring_t
psstring)
- param_get_lstring_scope (sstring_t mname, sstring_t cname, sstring_t pname, lstring_t plstring)
- param_get_ident_scope (sstring_t mname, sstring_t cname, sstring_t pname, lstring_t pident)
- param_label_coord (sstring_t pname, char xyz[3])
- param_new (sstring_t pname, int type)
- param_pack_scope (sstring_t mname, sstring_t cname, sstring_t pname)
- param_test_enum (sstring_t pname, lstring_t value)
- param_set_boolean_scope (sstring_t mname, sstring_t cname, sstring_t pname,int bvalue)
- param_set_enum_scope (sstring_t mname, sstring_t cname, sstring_t pname, lstring_t evalue)
- param_set_list_scope (sstring_t mname, sstring_t cname, sstring_t pname, lstring_t evalue)
- param_set_integer_scope (sstring_t mname, sstring_t cname, sstring_t pname, int ivalue)
- param_set_real_scope (sstring_t mname, sstring_t cname, sstring_t pname, double rvalue)
- param_set_coord_scope (sstring_t mname, sstring_t cname, sstring_t pname, float cvalue[3])
- param_set_sstring_scope (sstring_t mname, sstring_t cname, sstring_t pname, sstring_t
ssvalue)
- param_set_lstring_scope (sstring_t mname, sstring_t cname, sstring_t pname, lstring_t lsvalue)
- param_set_ident_scope (sstring_t mname, sstring_t cname, sstring_t pname, lstring_t ivalue)
- param_set_cond (sstring_t pname, sstring_t cname, sstring_t cvalue, int bop, int bpol)
- param_set_cond_boolean (sstring_t pname, sstring_t cname, int bvalue, int bop, in bpol)
- param_set_cond_scope (string_t mname, sstring_t cmdn, sstring_t pname, sstring_t cname,
sstring_t cvalue, int bop, in bpol)
- param_set_cond_boolean_scope (sstring_t mname, sstring_t cmdn, sstring_t pname,
sstring_t cname, int bvalue, int bop, in bpol)
- param_set_comment (sstring_t mname, string_t cname, sstring_t pname,sstring_t comment, int justify)
- param_set_list_size (sstring_t pname, int size)
- param_set_display_style (sstring_t pname, enum style)
- param_set_precision (sstring_t mname, sstring_t cname, sstring_t pname, unsigned int places)
- param_set_short (sstring_t pname)
- param_start_column (sstring_t mname, sstring_t cname, sstring_t pname)
- param_test_boolean (sstring_t pname)
- param_test_boolean_scope (sstring_t mname, sstring_t cname, sstring_t name)
- param_test_enum (sstring_t pname, lstring_t value)
- param_test_enum_scope (sstring_t mname, sstring_t cname, lstring_t pname, lstring_t value)
- param_unset (sstring_t mname sstring_t cname, sstring_t pname)
- param_unset_def (sstring_t pname)
- param_unset_def_scope (sstring_t mname, sstring_t cname, sstring_t pname)
- sdial_display ()
- sdial_label (int slot, lstring_t string)
5. Chembench Concepts
- Introduction
- Concepts
- Object-Oriented Design Principles
- Objects and Object Classes
- Attributes
- Methods
- Connections
- Class Derivation
- Encapsulation
- Chembench Architecture
- Chembench Class Derivation
- Class Overview
- System
- Base Object
- Monomer
- Atom
- Chembench Usage Topics
- Function Naming Conventions
- Attribute Functions
- Method Functions
- Connection Functions
- Function Completion Status Reporting
- Return Value Conventions
- Status Descriptions
- Function Argument Conventions
- Abbreviations
- Include Files and Object Identifiers
- Object Creation and Destruction
- Iterator Conventions
- Remove vs. Delete
- Lightweight Classes
- Base Object Display
- Callbacks
- Constraints
- Windows
- Bond Traversal
- Coordinate Transformations
- Unique Names
- Base Object Aggregation
- General Services
- Processes
- Tasks
- Files
- Strings
- General Data Structures
- Distributed Chembench
- Overview
- Model
- Architecture
- Procedures
- Example
- Limitations
6. Chembench Functions
- Chembench Function Dictionary
- Dictionary Organization
- Function Naming Conventions
- Attribute Functions
- Method Functions
- Connection Functions
- Return Value Conventions
- Function Argument Conventions
- Index of Chembench Functions
7. Open Interface Toolkit Concepts
- Introduction
- Concepts
- Layering
- Include File
- Workbench Functions
- Modules
- Prepackaged Parameters for Commands
- Message Reporting
- Chembench Functions
8. Open Interface Toolkit Functions
- Toolkit Function Dictionary
- Dictionary Organization
- Function Naming Conventions
- Return Value Conventions
- Index of Toolkit Functions
A. Workbench Internals
- Matching Algorithm
- Using Existing Workbench Parameters
- Naming Conventions and Macro Constant Usage
B. IBM Make Instructions
- Instructions
- Makefile
Last updated October 06, 1997 at 11:52AM PDT.
Copyright © 1997, Molecular Simulations, Inc. All rights
reserved.
