136 lines
4.1 KiB
Lua
136 lines
4.1 KiB
Lua
chem.spectra = {}
|
|
|
|
function chem.spectra.draw(xlabel, ylabel, unsetX, unsetY, title, fileName, xMin, xMax, yMin, yMax, colour, plot, peaks, above, points)
|
|
if type ( fileName ) == "table"
|
|
then
|
|
theFunction = {}
|
|
for index, file in ipairs ( fileName )
|
|
do
|
|
if type ( file ) == "table"
|
|
then
|
|
markFileAsUsed ( file [ 1 ] )
|
|
file [ 1 ] = "'"..file[1].."'"
|
|
table.insert ( theFunction, file )
|
|
else
|
|
markFileAsUsed ( file )
|
|
table.insert ( theFunction, "'"..file.."'" )
|
|
end
|
|
end
|
|
else
|
|
markFileAsUsed ( fileName )
|
|
theFunction = "'"..tostring(fileName).."'"
|
|
end
|
|
return gnuplot.plotFunction
|
|
(
|
|
xlabel,
|
|
ylabel,
|
|
unsetX, unsetY,
|
|
title or "\\GetTitleStringResult",
|
|
theFunction,
|
|
xMin, xMax,
|
|
yMin, yMax,
|
|
colour, plot,
|
|
peaks, above,
|
|
points
|
|
)
|
|
end
|
|
|
|
function chem.spectra.ir(title, fileName, xMin, xMax, yMin, yMax, colour, plot, peaks)
|
|
return chem.spectra.draw
|
|
(
|
|
"${\\acrshort{waveNumber} / \\Newunit{cm-1}{}}$",
|
|
"${\\text{Transmission} / \\Newunit{percent}{}}$",
|
|
false, false,
|
|
title, fileName,
|
|
xMin, xMax,
|
|
yMin, yMax,
|
|
colour, plot,
|
|
peaks, false
|
|
)
|
|
end
|
|
|
|
function chem.spectra.raman(title, fileName, xMin, xMax, yMin, yMax, colour, plot, peaks)
|
|
return chem.spectra.draw
|
|
(
|
|
"${\\Delta\\acrshort{waveNumber} / \\Newunit{cm-1}{}}$",
|
|
"${\\text{Intensität}}$",
|
|
false, true,
|
|
title, fileName,
|
|
xMin, xMax,
|
|
yMin, yMax,
|
|
colour, plot,
|
|
peaks, true
|
|
)
|
|
end
|
|
|
|
function chem.spectra.pxrd(title, fileName, xMin, xMax, yMin, yMax, colour, plot, peaks)
|
|
return chem.spectra.draw
|
|
(
|
|
"${2\\,\\Theta / \\Newunit{degree}{}}$",
|
|
"${\\text{Intensität}}$",
|
|
false, true,
|
|
title, fileName,
|
|
xMin, xMax,
|
|
yMin, yMax,
|
|
colour, plot,
|
|
peaks, true
|
|
)
|
|
end
|
|
|
|
function chem.spectra.uvvis(title, fileName, xMin, xMax, yMin, yMax, colour, plot, peaks)
|
|
return chem.spectra.draw
|
|
(
|
|
"${\\acrshort{waveLength} / \\Newunit{nanometre}{}}$",
|
|
"${\\text{Extinktion}}$",
|
|
false, true,
|
|
title, fileName,
|
|
xMin, xMax,
|
|
yMin, yMax,
|
|
colour, plot,
|
|
peaks, true
|
|
)
|
|
end
|
|
|
|
function chem.spectra.iuvvis(title, fileName, xMin, xMax, yMin, yMax, colour, plot, peaks)
|
|
return chem.spectra.draw
|
|
(
|
|
"${\\acrshort{waveNumber} / \\Newunit{cm-1}{}}$",
|
|
"${\\text{Extinktion}}$",
|
|
false, true,
|
|
title, fileName,
|
|
xMin, xMax,
|
|
yMin, yMax,
|
|
colour, plot,
|
|
peaks, true
|
|
)
|
|
end
|
|
|
|
function chem.spectra.tauc(title, fileName, xMin, xMax, yMin, yMax, colour, plot, peaks)
|
|
return spectra
|
|
(
|
|
"${\\acrshort{bandGap} / \\Newunit{electronVolt}{}}$",
|
|
"${\\left(\\acrshort{absorptionCoefficient}\\cdot\\acrshort{planckConstant}\\cdot\\acrshort{waveFrequency}\\right)^2}$",
|
|
false, false,
|
|
title, fileName,
|
|
xMin, xMax,
|
|
yMin, yMax,
|
|
colour, plot,
|
|
peaks, true
|
|
)
|
|
end
|
|
|
|
function chem.spectra.cv(title, reference, fileName, xMin, xMax, yMin, yMax, colour, plot, points)
|
|
return chem.spectra.draw
|
|
(
|
|
"${\\acrshort{dcVoltage} / \\Newunit{volt}{}}$ \\acrshort{versus} "..reference,
|
|
"${\\acrshort{dcCurrent} / \\Newunit{microampere}{}}$",
|
|
false, false,
|
|
title, fileName,
|
|
xMin, xMax,
|
|
yMin, yMax,
|
|
colour, plot,
|
|
false, true,
|
|
points
|
|
)
|
|
end
|