From 31210a8a4fb0df50fed0ae064787134751315ea6 Mon Sep 17 00:00:00 2001 From: Emil VATAI Date: Fri, 16 Aug 2024 10:01:13 +0200 Subject: [PATCH] Return missing txt files --- .../fad_kinetics/fad_emission_spectrum.TXT | 27 ++++ .../fad_emission_spectrum_wavelength.TXT | 27 ++++ .../fad_groundstate_spectrum_wavelength.TXT | 58 +++++++ .../kinetics_fad_semiclassical_wavelength.py | 144 +++++++++--------- 4 files changed, 184 insertions(+), 72 deletions(-) create mode 100644 examples/data/fad_kinetics/fad_emission_spectrum.TXT create mode 100644 examples/data/fad_kinetics/fad_emission_spectrum_wavelength.TXT create mode 100644 examples/data/fad_kinetics/fad_groundstate_spectrum_wavelength.TXT diff --git a/examples/data/fad_kinetics/fad_emission_spectrum.TXT b/examples/data/fad_kinetics/fad_emission_spectrum.TXT new file mode 100644 index 0000000..ca8e4e3 --- /dev/null +++ b/examples/data/fad_kinetics/fad_emission_spectrum.TXT @@ -0,0 +1,27 @@ +0.02830285072034311 +0.09236742617758242 +0.2039780661421613 +0.4108170702632741 +0.5857770511903544 +0.7924798201696133 +0.935765130615442 +0.9998297060726813 +0.9844691938285486 +0.9533054051292531 +0.8744933755662272 +0.7956813460032022 +0.7010319811995505 +0.6063826163958996 +0.4958618575661591 +0.417117945574061 +0.338305916011036 +0.2911685569292608 +0.22822792139232373 +0.18126085623786636 +0.15019924389496264 +0.1031300023841153 +0.08780354892544473 +0.07261333060863073 +0.07322638874697684 +0.0419944824767553 +0.05837675828479938 diff --git a/examples/data/fad_kinetics/fad_emission_spectrum_wavelength.TXT b/examples/data/fad_kinetics/fad_emission_spectrum_wavelength.TXT new file mode 100644 index 0000000..1ac6b5e --- /dev/null +++ b/examples/data/fad_kinetics/fad_emission_spectrum_wavelength.TXT @@ -0,0 +1,27 @@ +465.5308061714519 +474.5478696229693 +482.41544906508636 +490.12976397261673 +495.74946357412887 +501.3180749974456 +508.06171451926025 +517.0787779707775 +525.1507101256769 +534.3210381117809 +543.0315724941248 +551.7421068764688 +561.0146112189639 +570.2871155614591 +579.585163993052 +589.3685501175028 +598.0790844998468 +605.6656789618883 +614.3506692551343 +624.619393072443 +635.3989986717074 +644.0584448758557 +652.6668029018085 +663.420864411975 +673.0765300909369 +681.1740063349341 +689.1948503116379 diff --git a/examples/data/fad_kinetics/fad_groundstate_spectrum_wavelength.TXT b/examples/data/fad_kinetics/fad_groundstate_spectrum_wavelength.TXT new file mode 100644 index 0000000..b4c41ac --- /dev/null +++ b/examples/data/fad_kinetics/fad_groundstate_spectrum_wavelength.TXT @@ -0,0 +1,58 @@ +250.07610299931474 +252.2178588371725 +253.94104817879924 +256.0846159928311 +258.6467503030942 +261.19982473248643 +266.25705023456857 +270.40647567339624 +272.0390662063149 +273.258526171525 +274.05398371198146 +275.268007748669 +276.4820317853566 +278.11099836592695 +279.73996494649725 +281.36711955089345 +282.99427415528965 +284.20829819197724 +285.42051025249066 +287.4716672816404 +288.68206736597966 +290.3146578988983 +292.36581492804805 +295.25772890200835 +300.25697116651736 +308.20792261873385 +316.16974592799534 +323.72025064572244 +331.2725673396236 +337.15605397712295 +343.4544831585051 +348.91759132359914 +355.6327750250382 +361.092259237784 +368.6445759316852 +377.43809630488636 +384.9596094038269 +391.2217990617258 +396.2282892309314 +401.66059380106475 +410.03735965420907 +416.3357888355912 +423.0491605608561 +429.76615623846925 +437.73885140477574 +446.1283010911392 +456.1702730483369 +464.10854066733435 +471.62461783775234 +477.8813715671288 +482.8769898792894 +487.8726081914501 +492.4442240788572 +497.023087870961 +502.44270860787515 +508.70308628959987 +516.2245993885404 +524.592305360814 diff --git a/examples/kinetics_fad_semiclassical_wavelength.py b/examples/kinetics_fad_semiclassical_wavelength.py index 53eee48..b2d5df5 100644 --- a/examples/kinetics_fad_semiclassical_wavelength.py +++ b/examples/kinetics_fad_semiclassical_wavelength.py @@ -288,8 +288,8 @@ def main(): for i in range(1, len(emission_wavelength)): mfe_emission_max[i] = mary_emission[:, -1, i].min() - xlabel = "Wavelength / nm" - ylabel = "$\Delta \Delta A$" + xlabel = r"Wavelength / nm" + ylabel = r"$\Delta \Delta A$" plot_general( groundstate_wavelength[1:], np.real(mfe_groundstate_max)[1:], @@ -302,8 +302,8 @@ def main(): plt.savefig(path, dpi=300, bbox_inches="tight") plt.close() - xlabel = "Wavelength / nm" - ylabel = "$\Delta I_F$" + xlabel = r"Wavelength / nm" + ylabel = r"$\Delta I_F$" plot_general( emission_wavelength[1:], np.real(mfe_emission_max)[1:], @@ -316,8 +316,8 @@ def main(): plt.savefig(path, dpi=300, bbox_inches="tight") plt.close() - xlabel = "Wavelength / nm" - ylabel = "$\Delta \Delta A$" + xlabel = r"Wavelength / nm" + ylabel = r"$\Delta \Delta A$" plot_general( wavelength, np.real(mfe_max), @@ -337,8 +337,8 @@ def main(): colors_time = plt.colormaps.get_cmap("viridis").resampled(len(time)).colors colors_field = plt.colormaps.get_cmap("viridis").resampled(len(Bs)).colors - xlabel = "Wavelength / nm" - ylabel = "$\Delta \Delta A$" + xlabel = r"Wavelength / nm" + ylabel = r"$\Delta \Delta A$" for i in range(0, len(time), n): plot_general( groundstate_wavelength, @@ -346,15 +346,15 @@ def main(): xlabel, ylabel, style="-", - label=f"{time[i] * factor: .0f} $\mu s$", + label=f"{time[i] * factor: .0f} $\\mu s$", colors=colors_time[i], ) path = __file__[:-3] + f"_{3}.png" plt.savefig(path, dpi=300, bbox_inches="tight") plt.close() - xlabel = "$B_0$ / mT" - ylabel = "$\Delta \Delta A$" + xlabel = r"$B_0$ / mT" + ylabel = r"$\Delta \Delta A$" for i in range(0, len(time), n): plot_general( Bs, @@ -362,15 +362,15 @@ def main(): xlabel, ylabel, style="-", - label=f"{time[i] * factor: .0f} $\mu s$", + label=f"{time[i] * factor: .0f} $\\mu s$", colors=colors_time[i], ) path = __file__[:-3] + f"_{4}.png" plt.savefig(path, dpi=300, bbox_inches="tight") plt.close() - xlabel = "Time / $\mu s$" - ylabel = "$\Delta \Delta A$" + xlabel = r"Time / $\mu s$" + ylabel = r"$\Delta \Delta A$" for i in range(0, len(Bs), f): plot_general( time, @@ -386,8 +386,8 @@ def main(): plt.savefig(path, dpi=300, bbox_inches="tight") plt.close() - xlabel = "Wavelength / nm" - ylabel = "$\Delta I_F$" + xlabel = r"Wavelength / nm" + ylabel = r"$\Delta I_F$" for i in range(0, len(time), n): plot_general( emission_wavelength, @@ -395,15 +395,15 @@ def main(): xlabel, ylabel, style="-", - label=f"{time[i] * factor: .0f} $\mu s$", + label=f"{time[i] * factor: .0f} $\\mu s$", colors=colors_time[i], ) path = __file__[:-3] + f"_{6}.png" plt.savefig(path, dpi=300, bbox_inches="tight") plt.close() - xlabel = "$B_0$ / mT" - ylabel = "$\Delta I_F$" + xlabel = r"$B_0$ / mT" + ylabel = r"$\Delta I_F$" for i in range(0, len(time), n): plot_general( Bs, @@ -411,15 +411,15 @@ def main(): xlabel, ylabel, style="-", - label=f"{time[i] * factor: .0f} $\mu s$", + label=f"{time[i] * factor: .0f} $\\mu s$", colors=colors_time[i], ) path = __file__[:-3] + f"_{7}.png" plt.savefig(path, dpi=300, bbox_inches="tight") plt.close() - xlabel = "Time / $\mu s$" - ylabel = "$\Delta I_F$" + xlabel = r"Time / $\mu s$" + ylabel = r"$\Delta I_F$" for i in range(0, len(Bs), f): plot_general( time, @@ -435,8 +435,8 @@ def main(): plt.savefig(path, dpi=300, bbox_inches="tight") plt.close() - xlabel = "Wavelength / nm" - ylabel = "$\Delta \Delta A$" + xlabel = r"Wavelength / nm" + ylabel = r"$\Delta \Delta A$" for i in range(0, len(time), n): plot_general( wavelength, @@ -444,15 +444,15 @@ def main(): xlabel, ylabel, style="-", - label=f"{time[i] * factor: .0f} $\mu s$", + label=f"{time[i] * factor: .0f} $\\mu s$", colors=colors_time[i], ) path = __file__[:-3] + f"_{9}.png" plt.savefig(path, dpi=300, bbox_inches="tight") plt.close() - xlabel = "$B_0$ / mT" - ylabel = "$\Delta \Delta A$" + xlabel = r"$B_0$ / mT" + ylabel = r"$\Delta \Delta A$" for i in range(0, len(time), n): plot_general( Bs, @@ -460,15 +460,15 @@ def main(): xlabel, ylabel, style="-", - label=f"{time[i] * factor: .0f} $\mu s$", + label=f"{time[i] * factor: .0f} $\\mu s$", colors=colors_time[i], ) path = __file__[:-3] + f"_{10}.png" plt.savefig(path, dpi=300, bbox_inches="tight") plt.close() - xlabel = "Time / $\mu s$" - ylabel = "$\Delta \Delta A$" + xlabel = r"Time / $\mu s$" + ylabel = r"$\Delta \Delta A$" for i in range(0, len(Bs), f): plot_general( time, @@ -483,8 +483,8 @@ def main(): path = __file__[:-3] + f"_{11}.png" plt.savefig(path, dpi=300, bbox_inches="tight") plt.close() - xlabel = "Wavelength / nm" - ylabel = "$\Delta \Delta A$" + xlabel = r"Wavelength / nm" + ylabel = r"$\Delta \Delta A$" for i in range(0, len(time), n): plot_general( groundstate_wavelength, @@ -492,14 +492,14 @@ def main(): xlabel, ylabel, style="-", - label=f"{time[i] * factor: .0f} $\mu s$", + label=f"{time[i] * factor: .0f} $\\mu s$", ) path = __file__[:-3] + f"_{3}.png" plt.savefig(path, dpi=300, bbox_inches="tight") plt.close() - xlabel = "$B_0$ / mT" - ylabel = "$\Delta \Delta A$" + xlabel = r"$B_0$ / mT" + ylabel = r"$\Delta \Delta A$" for i in range(0, len(time), n): plot_general( Bs, @@ -507,14 +507,14 @@ def main(): xlabel, ylabel, style="-", - label=f"{time[i] * factor: .0f} $\mu s$", + label=f"{time[i] * factor: .0f} $\\mu s$", ) path = __file__[:-3] + f"_{4}.png" plt.savefig(path, dpi=300, bbox_inches="tight") plt.close() - xlabel = "Time / $\mu s$" - ylabel = "$\Delta \Delta A$" + xlabel = r"Time / $\mu s$" + ylabel = r"$\Delta \Delta A$" for i in range(0, len(Bs), f): plot_general( time, @@ -529,8 +529,8 @@ def main(): plt.savefig(path, dpi=300, bbox_inches="tight") plt.close() - xlabel = "Wavelength / nm" - ylabel = "$\Delta I_F$" + xlabel = r"Wavelength / nm" + ylabel = r"$\Delta I_F$" for i in range(0, len(time), n): plot_general( emission_wavelength, @@ -538,14 +538,14 @@ def main(): xlabel, ylabel, style="-", - label=f"{time[i] * factor: .0f} $\mu s$", + label=f"{time[i] * factor: .0f} $\\mu s$", ) path = __file__[:-3] + f"_{6}.png" plt.savefig(path, dpi=300, bbox_inches="tight") plt.close() - xlabel = "$B_0$ / mT" - ylabel = "$\Delta I_F$" + xlabel = r"$B_0$ / mT" + ylabel = r"$\Delta I_F$" for i in range(0, len(time), n): plot_general( Bs, @@ -553,14 +553,14 @@ def main(): xlabel, ylabel, style="-", - label=f"{time[i] * factor: .0f} $\mu s$", + label=f"{time[i] * factor: .0f} $\\mu s$", ) path = __file__[:-3] + f"_{7}.png" plt.savefig(path, dpi=300, bbox_inches="tight") plt.close() - xlabel = "Time / $\mu s$" - ylabel = "$\Delta I_F$" + xlabel = r"Time / $\mu s$" + ylabel = r"$\Delta I_F$" for i in range(0, len(Bs), f): plot_general( time, @@ -575,8 +575,8 @@ def main(): plt.savefig(path, dpi=300, bbox_inches="tight") plt.close() - xlabel = "Wavelength / nm" - ylabel = "$\Delta \Delta A$" + xlabel = r"Wavelength / nm" + ylabel = r"$\Delta \Delta A$" for i in range(0, len(time), n): plot_general( wavelength, @@ -584,14 +584,14 @@ def main(): xlabel, ylabel, style="-", - label=f"{time[i] * factor: .0f} $\mu s$", + label=f"{time[i] * factor: .0f} $\\mu s$", ) path = __file__[:-3] + f"_{9}.png" plt.savefig(path, dpi=300, bbox_inches="tight") plt.close() - xlabel = "$B_0$ / mT" - ylabel = "$\Delta \Delta A$" + xlabel = r"$B_0$ / mT" + ylabel = r"$\Delta \Delta A$" for i in range(0, len(time), n): plot_general( Bs, @@ -599,14 +599,14 @@ def main(): xlabel, ylabel, style="-", - label=f"{time[i] * factor: .0f} $\mu s$", + label=f"{time[i] * factor: .0f} $\\mu s$", ) path = __file__[:-3] + f"_{10}.png" plt.savefig(path, dpi=300, bbox_inches="tight") plt.close() - xlabel = "Time / $\mu s$" - ylabel = "$\Delta \Delta A$" + xlabel = r"Time / $\mu s$" + ylabel = r"$\Delta \Delta A$" for i in range(0, len(Bs), f): plot_general( time, @@ -679,9 +679,9 @@ def main(): plt.close() # 3D plots - xlabel = "Wavelength / nm" - ylabel = "Time / $\mu s$" - zlabel = "$\Delta \Delta A$" + xlabel = r"Wavelength / nm" + ylabel = r"Time / $\mu s$" + zlabel = r"$\Delta \Delta A$" plot_3d_results( groundstate_wavelength, results["ts"], @@ -694,9 +694,9 @@ def main(): plt.savefig(path, dpi=300) plt.close() - xlabel = "Wavelength / nm" - ylabel = "$B_0$ / mT" - zlabel = "$\Delta \Delta A$" + xlabel = r"Wavelength / nm" + ylabel = r"$B_0$ / mT" + zlabel = r"$\Delta \Delta A$" plot_3d_results( groundstate_wavelength, results["Bs"], @@ -710,9 +710,9 @@ def main(): plt.savefig(path, dpi=300) plt.close() - xlabel = "Wavelength / nm" - ylabel = "Time / $\mu s$" - zlabel = "$\Delta I_F$" + xlabel = r"Wavelength / nm" + ylabel = r"Time / $\mu s$" + zlabel = r"$\Delta I_F$" plot_3d_results( emission_wavelength, results["ts"], @@ -725,9 +725,9 @@ def main(): plt.savefig(path, dpi=300) plt.close() - xlabel = "Wavelength / nm" - ylabel = "$B_0$ / mT" - zlabel = "$\Delta I_F$" + xlabel = r"Wavelength / nm" + ylabel = r"$B_0$ / mT" + zlabel = r"$\Delta I_F$" plot_3d_results( emission_wavelength, results["Bs"], @@ -741,9 +741,9 @@ def main(): plt.savefig(path, dpi=300) plt.close() - xlabel = "Wavelength / nm" - ylabel = "Time / $\mu s$" - zlabel = "$\Delta \Delta A$" + xlabel = r"Wavelength / nm" + ylabel = r"Time / $\mu s$" + zlabel = r"$\Delta \Delta A$" plot_3d_results( wavelength, results["ts"], @@ -756,9 +756,9 @@ def main(): plt.savefig(path, dpi=300) plt.close() - xlabel = "Wavelength / nm" - ylabel = "$B_0$ / mT" - zlabel = "$\Delta \Delta A$" + xlabel = r"Wavelength / nm" + ylabel = r"$B_0$ / mT" + zlabel = r"$\Delta \Delta A$" plot_3d_results( wavelength, results["Bs"],