diff options
Diffstat (limited to 'data')
| -rw-r--r-- | data/Makefile.am | 3 | ||||
| -rw-r--r-- | data/displaywindow.ui | 91 | ||||
| -rw-r--r-- | data/elements | 19 | ||||
| -rw-r--r-- | data/test.hkl | 7 |
4 files changed, 120 insertions, 0 deletions
diff --git a/data/Makefile.am b/data/Makefile.am new file mode 100644 index 0000000..d98253d --- /dev/null +++ b/data/Makefile.am @@ -0,0 +1,3 @@ +synth2ddir = $(datadir)/synth2d +synth2d_DATA = displaywindow.ui elements + diff --git a/data/displaywindow.ui b/data/displaywindow.ui new file mode 100644 index 0000000..c09638f --- /dev/null +++ b/data/displaywindow.ui @@ -0,0 +1,91 @@ +<ui> + <menubar name="displaywindow"> + + <menu name="file" action="FileAction"> + <menuitem name="save" action="SaveAction" /> + <menuitem name="savehkl" action="SaveHKLAction" /> + <menuitem name="savepdf" action="SavePDFAction" /> + <separator /> + <menuitem name="close" action="CloseAction" /> + </menu> + + <menu name="view" action="ViewAction"> + <menuitem name="patterson" action="PattersonAction" /> + <menuitem name="pattersone" action="PattersonEAction" /> + <menuitem name="knownphase" action="KnownPhaseAction" /> + <menuitem name="calcphase" action="CalcPhaseAction" /> + <menuitem name="realspace" action="RealSpaceAction" /> + <separator /> + <menuitem name="difference" action="DifferenceAction" /> + <menuitem name="refsyn" action="RefSynAction" /> + <menuitem name="diffpatte" action="DifferencePattAction" /> + <separator /> + <menuitem name="model" action="ModelAction" /> + <menuitem name="simpatt" action="SimPattAction" /> + <menuitem name="simfolzpatt" action="SimFOLZPattAction" /> + <menuitem name="exitwave" action="ExitWaveAction" /> + <separator /> + <menuitem name="cells" action="CellsAction" /> + <menu name="scalemenu" action="ScaleMenuAction"> + <menuitem name="scaling" action="ScaleAction" /> + <menuitem name="autoscale" action="AutoScaleAction" /> + <menuitem name="autoscaleonce" action="AutoScaleOnceAction" /> + </menu> + <menu name="modelmenu" action="ModelMenuAction"> + <menuitem name="names" action="ModelNamesAction" /> + <menuitem name="heights" action="ModelHeightsAction" /> + </menu> + <menuitem name="contour" action="ContourAction" /> + <menuitem name="argand" action="ArgandAction" /> + <menuitem name="dp" action="DPAction" /> + <menuitem name="simdp" action="SimDPAction" /> + <menuitem name="aperture" action="ApertureAction" /> + <menuitem name="colwheel" action="ColWheelAction" /> + </menu> + + <menu name="Plots" action="PlotsAction"> + <menuitem name="wilson" action="WilsonAction" /> + <menuitem name="falloff" action="FalloffAction" /> + <separator /> + <menuitem name="luzzatti" action="LuzzattiAction" /> + <menuitem name="correspondence" action="CorrespondenceAction" /> + <menuitem name="amplituder" action="AmplitudeRAction" /> + </menu> + + <menu name="Solve" action="SolveAction"> + <menuitem name="gsf" action="GSFAction" /> + <menuitem name="cf" action="CFAction" /> + <menuitem name="elser" action="ElserAction" /> + <menuitem name="cdm" action="CDMAction" /> + <separator /> + <menuitem name="clean" action="CLEANAction" /> + <separator /> + <menuitem name="modelrefine" action="ModelRefineAction" /> + </menu> + + <menu name="tools" action="ToolsAction"> + <menuitem name="symmetrise" action="SymmAction" /> + <separator /> + <menuitem name="sharpen" action="SharpenAction" /> + <menuitem name="dethermalise" action="DethermaliseAction" /> + <menuitem name="expnormalise" action="ExpNormaliseAction" /> + <menuitem name="geometrycorr" action="GeometryCorrAction" /> + <separator /> + <menuitem name="superlatticesplit" action="SuperlatticeSplitAction" /> + <menuitem name="hpfilter" action="HighPassFilterAction" /> + <menuitem name="grabphases" action="GrabPhaseAction" /> + <menuitem name="stripzero" action="StripZeroAction" /> + <menuitem name="antialias" action="AntiAliasAction" /> + <separator /> + <menuitem name="modelatom" action="ModelAtomAction" /> + <menuitem name="modelload" action="ModelLoadAction" /> + <menuitem name="modelsave" action="ModelSaveAction" /> + </menu> + + <menu name="help" action="HelpAction"> + <menuitem name="about" action="AboutAction" /> + </menu> + + </menubar> + +</ui> diff --git a/data/elements b/data/elements new file mode 100644 index 0000000..ef672be --- /dev/null +++ b/data/elements @@ -0,0 +1,19 @@ +Hydrogen 1 0.375400 15.49460 0.140800 4.126100 0.021600 0.024600 -0.101200 46.88400 0.000000 +Carbon 6 0.730700 36.99510 1.195100 11.29660 0.456300 2.813900 0.124700 0.34560 0.000000 +Oxygen 8 0.454800 23.78031 0.917300 7.62200 0.471900 2.144000 0.138400 0.29590 0.000000 +Magnesium 12 2.268200 73.67040 1.807500 20.17490 0.839400 3.018100 0.289200 0.40460 0.000000 +Phosphorus 15 1.888200 44.87560 2.468500 13.53830 0.804600 2.642400 0.320400 0.36080 0.000000 +Silicon 14 2.129300 57.77480 2.533300 16.47560 0.834900 2.879600 0.321600 0.38600 0.000000 +Calcium 20 4.469600 99.52280 2.970800 22.69580 1.969600 4.195400 0.481800 0.41650 0.000000 +Titanium 22 3.565300 81.98210 2.818100 19.04860 1.893000 3.590400 0.482500 0.38550 0.000000 +Manganese 25 2.746700 67.78620 2.455600 15.67430 1.792300 2.999800 0.498400 0.35690 0.000000 +Iron 26 2.544000 64.42440 2.343400 14.88060 1.758800 2.853900 0.506200 0.35020 0.000000 +Cobalt 27 2.366800 61.43060 2.236100 14.17980 1.724300 2.724700 0.514800 0.34420 0.000000 +Copper 29 1.579200 62.94030 1.819700 12.45270 1.657600 2.504200 0.532300 0.33310 0.000000 +Gallium 31 2.320500 65.60190 2.485500 15.45770 1.687900 2.580600 0.599200 0.35100 0.000000 +Selenium 34 2.298000 38.82960 2.854100 11.53590 1.455500 2.146300 0.589500 0.31630 0.000000 +Indium 49 3.152800 66.64920 3.556500 14.44940 2.818000 2.975800 0.884200 0.33450 0.000000 +Tin 50 3.449500 59.10420 3.734900 14.17870 2.777900 2.854800 0.878600 0.32700 0.000000 +Germanium 32 2.446700 55.89300 2.701500 14.39300 1.617500 2.446100 0.600900 0.34150 0.000000 +Europium 63 6.266700 100.2983 4.844000 16.06620 3.202300 2.980300 1.200900 0.36740 0.000000 + diff --git a/data/test.hkl b/data/test.hkl new file mode 100644 index 0000000..6444a89 --- /dev/null +++ b/data/test.hkl @@ -0,0 +1,7 @@ +a 1.0 nm +b 1.0 nm +c 1.0 nm + 0 1 0 1.10000 + 1 0 0 1.20000 + 1 1 0 1.30000 + |