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Encapsulated QCustomPlot into TPlotWidget, providing a QCustomPlot wi…
…th data storage and buttons for data manipulation / export. Reworked About Plugins dialog to be general About dialog. Added 'runTool()' command to allow running of tools from scripts. Renamed ringstool to springstool. Added quiet argument to Pattern::createMatrices(). Added Ring::atomArray() to return array of atoms in ring. Fixed - detection of SP rings in tool_springs was not quite correct.
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Original file line number | Diff line number | Diff line change |
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title 'Franzblau Fig. 1' | ||
atom 1 Si -3.589831 2.687586 0.000000 0.000000 Line 0.000000 1.000000 0.200000 1.000000 0 * | ||
atom 2 Si 0.558710 3.771151 0.000000 0.000000 Line 0.000000 1.000000 0.200000 1.000000 0 * | ||
atom 3 Si -1.766587 0.388918 0.000000 0.000000 Line 0.000000 1.000000 0.200000 1.000000 0 * | ||
atom 4 Si 2.962997 0.441770 0.000000 0.000000 Line 0.000000 1.000000 0.200000 1.000000 0 * | ||
atom 5 Si -3.563407 -1.751598 0.000000 0.000000 Line 0.000000 1.000000 0.200000 1.000000 0 * | ||
atom 6 Si 0.611562 -2.808463 0.000000 0.000000 Line 0.000000 1.000000 0.200000 1.000000 0 * | ||
atom 7 Si 4.786557 -2.729364 0.000000 0.000000 Line 0.000000 1.000000 0.200000 1.000000 0 * | ||
bond 5 1 single | ||
bond 6 5 single | ||
bond 7 6 single | ||
bond 4 7 single | ||
bond 2 4 single | ||
bond 3 2 single | ||
bond 6 3 single | ||
bond 6 4 single | ||
bond 2 1 single |
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Original file line number | Diff line number | Diff line change |
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@@ -35,6 +35,7 @@ select.cpp | |
site.cpp | ||
string.cpp | ||
system.cpp | ||
tools.cpp | ||
trajectory.cpp | ||
transform.cpp | ||
view.cpp | ||
|
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/* | ||
*** Tool Commands | ||
*** src/command/tool.cpp | ||
Copyright T. Youngs 2007-2017 | ||
This file is part of Aten. | ||
Aten is free software: you can redistribute it and/or modify | ||
it under the terms of the GNU General Public License as published by | ||
the Free Software Foundation, either version 3 of the License, or | ||
(at your option) any later version. | ||
Aten is distributed in the hope that it will be useful, | ||
but WITHOUT ANY WARRANTY; without even the implied warranty of | ||
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the | ||
GNU General Public License for more details. | ||
You should have received a copy of the GNU General Public License | ||
along with Aten. If not, see <http://www.gnu.org/licenses/>. | ||
*/ | ||
|
||
#include "command/commands.h" | ||
#include "parser/commandnode.h" | ||
#include "gui/mainwindow.h" | ||
#include "model/model.h" | ||
#include "base/sysfunc.h" | ||
#include "main/aten.h" | ||
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ATEN_USING_NAMESPACE | ||
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// Run specified tool, with options if provided | ||
bool Commands::function_RunTool(CommandNode* c, Bundle& obj, ReturnValue& rv) | ||
{ | ||
if (obj.notifyNull(Bundle::ModelPointer)) return false; | ||
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// Parse the first option so we can get the filter nickname and any filter options | ||
LineParser parser; | ||
parser.getArgsDelim(Parser::UseQuotes, c->argc(0)); | ||
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// First part of argument zero is tool nickname (followed by options) | ||
ToolPluginInterface* plugin = aten_.pluginStore().findToolPluginByNickname(PluginTypes::GeneralToolPlugin, parser.argc(0)); | ||
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// Check that a suitable plugin was found | ||
if (plugin == NULL) | ||
{ | ||
// Print list of valid plugin nicknames | ||
aten_.pluginStore().showToolPluginNicknames(PluginTypes::GeneralToolPlugin); | ||
Messenger::print("Nothing was run."); | ||
rv.set(false); | ||
return false; | ||
} | ||
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// Loop over remaining arguments which are option assignments | ||
KVMap pluginOptions; | ||
for (int n = 1; n < parser.nArgs(); ++n) pluginOptions.add(parser.argc(n)); | ||
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bool result = aten_.runTool(plugin, pluginOptions, false); | ||
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rv.set(result); | ||
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return result; | ||
} | ||
|
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