pyphyschemtools

• pyphyschemtools package
  • get_ppct_data()
  • pyphyschemtools.Chem3D module
    • XYZData
      • XYZData.get_bounding_sphere()
      • XYZData.get_cage_volume()
      • XYZData.get_cavity_dimensions()
      • XYZData.get_center_of_geometry()
      • XYZData.get_center_of_mass()
    • molView
      • molView.data
      • molView.v
      • molView.analyze_symmetry()
      • molView.show_bounding_sphere()
      • molView.show_cage_cavity()
      • molView.view_grid()
  • pyphyschemtools.ML module
    • categorizeY_2ohe()
    • y2c()
  • pyphyschemtools.PeriodicTable module
    • TableauPeriodique
      • TableauPeriodique.afficher()
      • TableauPeriodique.nomsFr
      • TableauPeriodique.patch_elements()
      • TableauPeriodique.prop()
      • TableauPeriodique.trad
  • pyphyschemtools.aithermo module
    • aiThermo
      • aiThermo.ListOfStableSurfaceCompositions()
      • aiThermo.plot_palette()
      • aiThermo.plot_surface()
  • pyphyschemtools.cheminformatics module
    • easy_rdkit
      • easy_rdkit.analyze_lewis()
      • easy_rdkit.analyze_stereochemistry()
      • easy_rdkit.descriptors
      • easy_rdkit.fetch_pubchem_data()
      • easy_rdkit.from_cid()
      • easy_rdkit.get_isomers()
      • easy_rdkit.plot_grid_from_df()
      • easy_rdkit.show_descriptors()
      • easy_rdkit.show_isomers()
      • easy_rdkit.show_mol()
      • easy_rdkit.to_dict()
  • pyphyschemtools.core module
    • centerTitle()
    • centertxt()
    • crop_images()
    • get_qc_examples()
    • save_data()
    • save_fig()
    • smart_trim()
  • pyphyschemtools.kinetics module
    • KORD
      • KORD.G0_theo()
      • KORD.G1_theo()
      • KORD.G2_theo()
      • KORD.concentrations()
      • KORD.fit()
      • KORD.get_best_order()
      • KORD.halflife()
      • KORD.load_from_excel()
      • KORD.plot_all_fits()
      • KORD.simulate_plot()
  • pyphyschemtools.nano module
    • NanoparticleDistribution
      • NanoparticleDistribution.fit()
      • NanoparticleDistribution.from_gaussian_params()
      • NanoparticleDistribution.from_lognormal_params()
      • NanoparticleDistribution.from_polydispersity()
      • NanoparticleDistribution.from_saxs_data()
      • NanoparticleDistribution.from_saxs_lognormal()
      • NanoparticleDistribution.get_binned_statistics()
      • NanoparticleDistribution.get_fit_accuracy()
      • NanoparticleDistribution.get_relative_height()
      • NanoparticleDistribution.plot()
      • NanoparticleDistribution.print_accuracy_report()
      • NanoparticleDistribution.print_results()
      • NanoparticleDistribution.results
    • get_coordination_numbers()
    • view_coordination()
  • pyphyschemtools.spectra module
    • SpectrumSimulator
      • SpectrumSimulator.plotAbs_lambda_TDDFT()
      • SpectrumSimulator.plotAbs_lambda_exp()
      • SpectrumSimulator.plotEps_lambda_TDDFT()
      • SpectrumSimulator.plotTDDFTSpectrum()
  • pyphyschemtools.survey module
    • SurveyApp
      • SurveyApp.analyze_text_columns()
      • SurveyApp.build_admin_dashboard()
      • SurveyApp.build_participant_form()
      • SurveyApp.enable_slider_css()
      • SurveyApp.get_or_create_user_id()
      • SurveyApp.list_drafts()
      • SurveyApp.load_all_responses()
      • SurveyApp.load_draft()
      • SurveyApp.load_questions()
      • SurveyApp.plot_spider_multi()
      • SurveyApp.print_questions_summary()
      • SurveyApp.run()
      • SurveyApp.save_draft()
      • SurveyApp.semantic_analysis()
      • SurveyApp.submit_form()
      • SurveyApp.summarize_by_block()
  • pyphyschemtools.sympyUtilities module
    • PrintLatexStyleSymPyEquation()
    • e2Lists()
  • pyphyschemtools.units module
    • Area
      • Area.to()
    • Density
      • Density.to()
    • Energy
      • Energy.to()
    • Length
      • Length.to()
    • Mass
      • Mass.to()
    • MolarMass
      • MolarMass.to()
    • PhysicalQuantity
      • PhysicalQuantity.parse()
      • PhysicalQuantity.show_available_units()
      • PhysicalQuantity.show_constants_metadata()
    • Pressure
      • Pressure.to()
    • Temperature
      • Temperature.show_available_units()
      • Temperature.to()
    • Volume
      • Volume.to()
  • pyphyschemtools.misc module
    • QRCodeGenerator
      • QRCodeGenerator.generate()
  • pyphyschemtools.tools4AS module
  • pyphyschemtools.visualID_Eng module
    • apply_css_style()
    • bg
      • bg.DARKRED
      • bg.DARKREDB
      • bg.LIGHTBLUE
      • bg.LIGHTBLUEB
      • bg.LIGHTGREEN
      • bg.LIGHTGREENB
      • bg.LIGHTRED
      • bg.LIGHTREDB
      • bg.LIGHTYELLOW
      • bg.LIGHTYELLOWB
      • bg.OFF
    • chrono_show()
    • chrono_start()
    • chrono_stop()
    • color
      • color.BLUE
      • color.BOLD
      • color.CYAN
      • color.DARKCYAN
      • color.GREEN
      • color.OFF
      • color.PURPLE
      • color.RED
      • color.UNDERLINE
      • color.YELLOW
    • display_md()
    • end()
    • fg
      • fg.BLACK
      • fg.BLUE
      • fg.CYAN
      • fg.DARKCYAN
      • fg.DARKGRAY
      • fg.GREEN
      • fg.LIGHTGRAY
      • fg.OFF
      • fg.PURPLE
      • fg.RED
      • fg.WHITE
      • fg.YELLOW
    • hdelay()
    • hdelay_ms()
    • hl
      • hl.BLINK
      • hl.BOLD
      • hl.ITALIC
      • hl.OFF
      • hl.UNDERL
      • hl.blink
      • hl.bold
      • hl.italic
      • hl.underl
    • init()