From 62547ccde5b6a3a10130e8bb06258dbe784b2d99 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Tue, 15 Aug 2023 05:35:34 -0400 Subject: [PATCH] update quick help and TODO list --- tools/lammps-gui/TODO.md | 5 +-- tools/lammps-gui/lammpsgui.cpp | 70 ++++++++++++++++++---------------- tools/lammps-gui/lammpsgui.ui | 2 +- 3 files changed, 41 insertions(+), 36 deletions(-) diff --git a/tools/lammps-gui/TODO.md b/tools/lammps-gui/TODO.md index ad98b29c87..d9581e3ae6 100644 --- a/tools/lammps-gui/TODO.md +++ b/tools/lammps-gui/TODO.md @@ -2,7 +2,6 @@ LAMMPS-GUI TODO list: # Short term goals -- write LAMMPS GUI Howto showing/explaining options -> simplify docs and readme - rewrite syntax highlighting to be line oriented instead of word oriented. handle first part of line based on regular expressions, then advance and only highlight strings and numbers. handle "&" continuation and multiline strings with """ like C style comments in Qt docs example @@ -11,7 +10,6 @@ LAMMPS-GUI TODO list: - need to handle "label" and "jump" commands from within ? - switch processing of input to line based commands or? - switch input file editor to read-only while loop is running -- embed all icons/graphics # Long term ideas - add feature to LAMMPS (to the LAMMPS class) to store current file name and line number, update while reading/parsing @@ -25,4 +23,5 @@ LAMMPS-GUI TODO list: - support single stepping, i.e. process input line by line (need to detect continuation chars!) with highlighting active line(s) - have command text input file in/above status bar where individual commands can be tested. have insert button to copy line into file at the current point - support text completion as done with lammps-shell -- add a "python" mode, where instead of launching LAMMPS, python is loaded that the LAMMPS python module is made available. +- add a "python" mode, where instead of launching LAMMPS, python is loaded where the LAMMPS python module is made available. +- support multiple tabs and multiple LAMMPS instances? diff --git a/tools/lammps-gui/lammpsgui.cpp b/tools/lammps-gui/lammpsgui.cpp index 0c76d65695..93c3f1dc80 100644 --- a/tools/lammps-gui/lammpsgui.cpp +++ b/tools/lammps-gui/lammpsgui.cpp @@ -880,38 +880,44 @@ void LammpsGui::help() QMessageBox msg; msg.setWindowTitle("LAMMPS-GUI Quick Help"); msg.setText("
This is LAMMPS-GUI version " LAMMPS_GUI_VERSION "
"); - msg.setInformativeText("Overview" - "
LAMMPS GUI is a graphical text editor that is " - "linked to the LAMMPS library and thus can run LAMMPS directly using " - "the contents of the text buffer as input through the LAMMPS C-library " - "interface. This makes it convenient to use for beginners and during " - "tutorials


" - "Features" - "
The main window of the LAMMPS GUI is a text " - "editor window with syntax highlighting. The output of a LAMMPS run is " - "captured and displayed in a log window. The log window is updated " - "regularly during the run, as is a progress bar in the main window. " - "After the simulation is finished, an image of the simulated system " - "can be created and shown (and saved) in image viewer window. Ongoing " - "runs can be stopped at the next run iteration.

" - "
When opening a file, the editor will determine " - "the directory where the input file resides and switch its current " - "working directory to that same folder. Many LAMMPS inputs contain " - "commands that read other files, typically from the folder as the " - "input file. The GUI will show its current working directory. " - "In addition to using the menu, the editor window also receive files " - "as the first command line argument or via drag-n-drop from a " - "graphical file manager GUI or a desktop environment.

" - "
Almost all commands are accessible via hotkeys. " - "Which those hotkeys are, is shown next to the entries in the menus. " - "Log and image viewer windows can be closed with CTRL-W (or Command-W " - "on macOS).

" - "
The 'About LAMMPS' dialog will show the " - "LAMMPS version and the features included into the LAMMPS library " - "linked to the LAMMPS GUI.

" - "Due to its nature as a graphical application, it is not " - "possible to use the LAMMPS GUI in parallel with MPI, but OpenMP " - "multi-threading is available.
"); + msg.setInformativeText("

LAMMPS GUI is a graphical text editor that is linked to the LAMMPS " + "library and thus can run LAMMPS directly using the contents of the " + "text buffer as input through the LAMMPS C-library interface.

" + "

The main window of the LAMMPS GUI is a text editor window with " + "LAMMPS specific syntax highlighting. When typing Ctrl-Enter " + "or clicking on 'Run LAMMMPS' in the 'Run' menu, LAMMPS will be run " + "with the contents of editor buffer as input. The output of the LAMMPS " + "run is captured and displayed in a log window. The thermodynamic data " + "is displayed in a chart window. Both are updated regularly during the " + "run, as is a progress bar in the main window. The running simulation " + "can be stopped cleanly by typing Ctrl-/ or by clicking on " + "'Stop LAMMPS' in the 'Run' menu. After the simulation is finished " + "or stopped, an image of the simulated system can be shown in an image " + "viewer window by typing Ctrl-i or by clicking on 'View Image' " + "in the 'Run' menu. Multiple image settings can be changed through the " + "buttons in the menu bar and the image will be re-renderd.

" + "

When opening a file, the editor will determine the directory " + "where the input file resides and switch its current working directory " + "to that same folder and thus enabling the run to read other files in " + "that folder, e.g. a data file .The GUI will show its current working " + "directory in the status bar. In addition to using the menu, the " + "editor window can also receive files as the first command line " + "argument or via drag-n-drop from a graphical file manager or a " + "desktop environment.

" + "

Almost all commands are accessible via hotkeys. Which those " + "hotkeys are, is typically shown next to their entries in the menus. " + "In addition, the documentation for the command in the current line " + "can be viewed by typing Ctrl-? or by choosing the respective " + "entry in the context menu, available by right-clicking the mouse. " + "Log, chart, and image windows can be closed with Ctrl-W, the " + "main window with Ctrl-Q.

" + "

The 'About LAMMPS' dialog will show the LAMMPS version and the " + "features included into the LAMMPS library linked to the LAMMPS GUI. " + "A number of settings can be adjusted in the 'Preferences' dialog (in " + "the 'Edit' menu or from Ctrl-P) which includes selecting " + "accelerator packages and number of OpenMP threads. Due to its nature " + "as a graphical application, it is not possible to use the " + "LAMMPS GUI in parallel with MPI.

"); msg.setIconPixmap(QPixmap(":/lammps-icon-128x128.png").scaled(64, 64)); msg.setStandardButtons(QMessageBox::Close); msg.exec(); diff --git a/tools/lammps-gui/lammpsgui.ui b/tools/lammps-gui/lammpsgui.ui index 06a366387f..14fad503d7 100644 --- a/tools/lammps-gui/lammpsgui.ui +++ b/tools/lammps-gui/lammpsgui.ui @@ -246,7 +246,7 @@ - &About LAMMPS-GUI + &About LAMMPS Ctrl+Shift+A