diff --git a/tools/lammps-gui/imageviewer.cpp b/tools/lammps-gui/imageviewer.cpp index 0b3c58abd3..94405e04ff 100644 --- a/tools/lammps-gui/imageviewer.cpp +++ b/tools/lammps-gui/imageviewer.cpp @@ -494,7 +494,7 @@ void ImageViewer::do_recenter() "variable LAMMPSGUI_CX equal (xcm(%1,x)-xlo)/lx\n" "variable LAMMPSGUI_CY equal (xcm(%1,y)-ylo)/ly\n" "variable LAMMPSGUI_CZ equal (xcm(%1,z)-zlo)/lz\n").arg(group); - lammps->commands_string(commands.toLocal8Bit()); + lammps->commands_string(commands); xcenter = lammps->extract_variable("LAMMPSGUI_CX"); ycenter = lammps->extract_variable("LAMMPSGUI_CZ"); zcenter = lammps->extract_variable("LAMMPSGUI_CZ"); @@ -667,7 +667,7 @@ void ImageViewer::createImage() settings.endGroup(); last_dump_cmd = dumpcmd; - lammps->command(dumpcmd.toLocal8Bit()); + lammps->command(dumpcmd); QImageReader reader(dumpfile.fileName()); reader.setAutoTransform(true); diff --git a/tools/lammps-gui/lammpsgui.cpp b/tools/lammps-gui/lammpsgui.cpp index 04015ebad4..70f2688f9d 100644 --- a/tools/lammps-gui/lammpsgui.cpp +++ b/tools/lammps-gui/lammpsgui.cpp @@ -493,14 +493,14 @@ void LammpsGui::start_exe() vmdfile.write(".psf}\n"); vmdfile.close(); args << "-e" << vmdfile.fileName(); - lammps.command(datacmd.toLocal8Bit()); + lammps.command(datacmd); auto *vmd = new QProcess(this); vmd->start(exe, args); } if (exe == "ovito") { QStringList args; args << datafile.fileName(); - lammps.command(datacmd.toLocal8Bit()); + lammps.command(datacmd); auto *ovito = new QProcess(this); ovito->start(exe, args); } @@ -800,7 +800,7 @@ void LammpsGui::inspect_file(const QString &fileName) start_lammps(); lammps.command("clear"); - lammps.command(QString("read_restart %1").arg(fileName).toLocal8Bit()); + lammps.command(QString("read_restart %1").arg(fileName)); capturer->BeginCapture(); lammps.command("info system group compute fix"); capturer->EndCapture(); @@ -816,7 +816,7 @@ void LammpsGui::inspect_file(const QString &fileName) infoviewer->show(); ilist->info = infoviewer; dumpinfo.remove(); - lammps.command(QString("write_data %1 pair ij noinit").arg(infodata).toLocal8Bit()); + lammps.command(QString("write_data %1 pair ij noinit").arg(infodata)); auto *dataviewer = new FileViewer(infodata, QString("LAMMPS-GUI: data file for %1").arg(shortName)); dataviewer->show(); diff --git a/tools/lammps-gui/lammpswrapper.h b/tools/lammps-gui/lammpswrapper.h index 9157bf77b5..c32b607c2b 100644 --- a/tools/lammps-gui/lammpswrapper.h +++ b/tools/lammps-gui/lammpswrapper.h @@ -14,6 +14,9 @@ #ifndef LAMMPSWRAPPER_H #define LAMMPSWRAPPER_H +#include +#include + class LammpsWrapper { public: LammpsWrapper(); @@ -23,8 +26,14 @@ public: void close(); void finalize(); + void file(const QString &fname) { file(fname.toStdString()); } + void file(const std::string &fname) { file(fname.c_str()); } void file(const char *); + void command(const QString &cmd) { command(cmd.toStdString()); } + void command(const std::string &cmd) { command(cmd.c_str()); } void command(const char *); + void commands_string(const QString &cmd) { commands_string(cmd.toStdString()); } + void commands_string(const std::string &cmd) { commands_string(cmd.c_str()); } void commands_string(const char *); void force_timeout();