Index

A

afficher() (pyphyschemtools.PeriodicTable.TableauPeriodique method) aiThermo (class in pyphyschemtools.aithermo) analyze_lewis() (pyphyschemtools.cheminformatics.easy_rdkit method) analyze_stereochemistry() (pyphyschemtools.cheminformatics.easy_rdkit method)

analyze_symmetry() (pyphyschemtools.Chem3D.molView method) analyze_text_columns() (pyphyschemtools.survey.SurveyApp method) apply_css_style() (in module pyphyschemtools.visualID_Eng) ApplySecondeChance() (in module pyphyschemtools.tools4AS) Area (class in pyphyschemtools.units)

B

bg (class in pyphyschemtools.visualID_Eng) BLACK (pyphyschemtools.visualID_Eng.fg attribute) BLINK (pyphyschemtools.visualID_Eng.hl attribute) blink (pyphyschemtools.visualID_Eng.hl attribute) BLUE (pyphyschemtools.visualID_Eng.color attribute) (pyphyschemtools.visualID_Eng.fg attribute)

BoiteAMoustachesByMentionEtParcours() (in module pyphyschemtools.tools4AS) BoiteAMoustachesByMentionEtParcoursHue() (in module pyphyschemtools.tools4AS) BOLD (pyphyschemtools.visualID_Eng.color attribute) (pyphyschemtools.visualID_Eng.hl attribute) bold (pyphyschemtools.visualID_Eng.hl attribute) build_admin_dashboard() (pyphyschemtools.survey.SurveyApp method) build_participant_form() (pyphyschemtools.survey.SurveyApp method)

C

categorizeY_2ohe() (in module pyphyschemtools.ML) centerTitle() (in module pyphyschemtools.core) centertxt() (in module pyphyschemtools.core) checkNoID_DuplicateID() (in module pyphyschemtools.tools4AS) chrono_show() (in module pyphyschemtools.visualID_Eng) chrono_start() (in module pyphyschemtools.visualID_Eng) chrono_stop() (in module pyphyschemtools.visualID_Eng) color (class in pyphyschemtools.visualID_Eng)

ComparaisonMoyennesDMCC() (in module pyphyschemtools.tools4AS) concat2ApoG() (in module pyphyschemtools.tools4AS) concentrations() (pyphyschemtools.kinetics.KORD method) CreationDfADMAJGH() (in module pyphyschemtools.tools4AS) crop_images() (in module pyphyschemtools.core) css_styling() (in module pyphyschemtools.tools4AS) CYAN (pyphyschemtools.visualID_Eng.color attribute) (pyphyschemtools.visualID_Eng.fg attribute)

D

DARKCYAN (pyphyschemtools.visualID_Eng.color attribute) (pyphyschemtools.visualID_Eng.fg attribute) DARKGRAY (pyphyschemtools.visualID_Eng.fg attribute) DARKRED (pyphyschemtools.visualID_Eng.bg attribute) DARKREDB (pyphyschemtools.visualID_Eng.bg attribute)

data (pyphyschemtools.Chem3D.molView attribute) Density (class in pyphyschemtools.units) descriptors (pyphyschemtools.cheminformatics.easy_rdkit property) display_md() (in module pyphyschemtools.visualID_Eng) dropColumnsByIndex() (in module pyphyschemtools.tools4AS)

E

e2Lists() (in module pyphyschemtools.sympyUtilities) easy_rdkit (class in pyphyschemtools.cheminformatics)

enable_slider_css() (pyphyschemtools.survey.SurveyApp method) end() (in module pyphyschemtools.visualID_Eng) Energy (class in pyphyschemtools.units)

F

fetch_pubchem_data() (pyphyschemtools.cheminformatics.easy_rdkit method) fg (class in pyphyschemtools.visualID_Eng) fit() (pyphyschemtools.kinetics.KORD method) (pyphyschemtools.nano.NanoparticleDistribution method) from_cid() (pyphyschemtools.cheminformatics.easy_rdkit class method)

from_gaussian_params() (pyphyschemtools.nano.NanoparticleDistribution class method) from_lognormal_params() (pyphyschemtools.nano.NanoparticleDistribution class method) from_polydispersity() (pyphyschemtools.nano.NanoparticleDistribution class method) from_saxs_data() (pyphyschemtools.nano.NanoparticleDistribution class method) from_saxs_lognormal() (pyphyschemtools.nano.NanoparticleDistribution class method)

G

G0_theo() (pyphyschemtools.kinetics.KORD method) G1_theo() (pyphyschemtools.kinetics.KORD method) G2_theo() (pyphyschemtools.kinetics.KORD method) generate() (pyphyschemtools.misc.QRCodeGenerator method) get_best_order() (pyphyschemtools.kinetics.KORD method) get_binned_statistics() (pyphyschemtools.nano.NanoparticleDistribution method) get_bounding_sphere() (pyphyschemtools.Chem3D.XYZData method) get_cage_volume() (pyphyschemtools.Chem3D.XYZData method) get_cavity_dimensions() (pyphyschemtools.Chem3D.XYZData method) get_center_of_geometry() (pyphyschemtools.Chem3D.XYZData method)

get_center_of_mass() (pyphyschemtools.Chem3D.XYZData method) get_coordination_numbers() (in module pyphyschemtools.nano) get_fit_accuracy() (pyphyschemtools.nano.NanoparticleDistribution method) get_isomers() (pyphyschemtools.cheminformatics.easy_rdkit method) get_or_create_user_id() (pyphyschemtools.survey.SurveyApp method) get_ppct_data() (in module pyphyschemtools) get_qc_examples() (in module pyphyschemtools.core) get_relative_height() (pyphyschemtools.nano.NanoparticleDistribution method) GREEN (pyphyschemtools.visualID_Eng.color attribute) (pyphyschemtools.visualID_Eng.fg attribute)

H

halflife() (pyphyschemtools.kinetics.KORD method) hdelay() (in module pyphyschemtools.visualID_Eng)

hdelay_ms() (in module pyphyschemtools.visualID_Eng) Histogrammes() (in module pyphyschemtools.tools4AS) hl (class in pyphyschemtools.visualID_Eng)

I

init() (in module pyphyschemtools.visualID_Eng)

ITALIC (pyphyschemtools.visualID_Eng.hl attribute) italic (pyphyschemtools.visualID_Eng.hl attribute)

K

kdePlotByMentionEtParcours() (in module pyphyschemtools.tools4AS)

KORD (class in pyphyschemtools.kinetics)

L

Length (class in pyphyschemtools.units) LIGHTBLUE (pyphyschemtools.visualID_Eng.bg attribute) LIGHTBLUEB (pyphyschemtools.visualID_Eng.bg attribute) LIGHTGRAY (pyphyschemtools.visualID_Eng.fg attribute) LIGHTGREEN (pyphyschemtools.visualID_Eng.bg attribute) LIGHTGREENB (pyphyschemtools.visualID_Eng.bg attribute) LIGHTRED (pyphyschemtools.visualID_Eng.bg attribute) LIGHTREDB (pyphyschemtools.visualID_Eng.bg attribute)

LIGHTYELLOW (pyphyschemtools.visualID_Eng.bg attribute) LIGHTYELLOWB (pyphyschemtools.visualID_Eng.bg attribute) list_drafts() (pyphyschemtools.survey.SurveyApp method) ListOfStableSurfaceCompositions() (pyphyschemtools.aithermo.aiThermo method) load_all_responses() (pyphyschemtools.survey.SurveyApp method) load_draft() (pyphyschemtools.survey.SurveyApp method) load_from_excel() (pyphyschemtools.kinetics.KORD static method) load_questions() (pyphyschemtools.survey.SurveyApp method)

M

Mass (class in pyphyschemtools.units) MentionAuModule() (in module pyphyschemtools.tools4AS) mentionD() (in module pyphyschemtools.tools4AS) module pyphyschemtools pyphyschemtools.aithermo pyphyschemtools.Chem3D pyphyschemtools.cheminformatics pyphyschemtools.core pyphyschemtools.kinetics pyphyschemtools.misc pyphyschemtools.ML pyphyschemtools.nano pyphyschemtools.PeriodicTable pyphyschemtools.spectra pyphyschemtools.survey pyphyschemtools.sympyUtilities pyphyschemtools.tools4AS pyphyschemtools.units pyphyschemtools.visualID_Eng

MolarMass (class in pyphyschemtools.units) molView (class in pyphyschemtools.Chem3D)

N

NanoparticleDistribution (class in pyphyschemtools.nano)

nomsFr (pyphyschemtools.PeriodicTable.TableauPeriodique attribute)

O

OFF (pyphyschemtools.visualID_Eng.bg attribute) (pyphyschemtools.visualID_Eng.color attribute) (pyphyschemtools.visualID_Eng.fg attribute) (pyphyschemtools.visualID_Eng.hl attribute)

P

parcours() (in module pyphyschemtools.tools4AS) parse() (pyphyschemtools.units.PhysicalQuantity class method) patch_elements() (pyphyschemtools.PeriodicTable.TableauPeriodique method) PhysicalQuantity (class in pyphyschemtools.units) plot() (pyphyschemtools.nano.NanoparticleDistribution method) plot_all_fits() (pyphyschemtools.kinetics.KORD method) plot_grid_from_df() (pyphyschemtools.cheminformatics.easy_rdkit static method) plot_palette() (pyphyschemtools.aithermo.aiThermo method) plot_spider_multi() (pyphyschemtools.survey.SurveyApp method) plot_surface() (pyphyschemtools.aithermo.aiThermo method) plotAbs_lambda_exp() (pyphyschemtools.spectra.SpectrumSimulator method) plotAbs_lambda_TDDFT() (pyphyschemtools.spectra.SpectrumSimulator method) plotEps_lambda_TDDFT() (pyphyschemtools.spectra.SpectrumSimulator method) plotTauxADMasBars() (in module pyphyschemtools.tools4AS) plotTDDFTSpectrum() (pyphyschemtools.spectra.SpectrumSimulator method) Pressure (class in pyphyschemtools.units) print_accuracy_report() (pyphyschemtools.nano.NanoparticleDistribution method) print_questions_summary() (pyphyschemtools.survey.SurveyApp method) print_results() (pyphyschemtools.nano.NanoparticleDistribution method) PrintLatexStyleSymPyEquation() (in module pyphyschemtools.sympyUtilities) prop() (pyphyschemtools.PeriodicTable.TableauPeriodique method) PURPLE (pyphyschemtools.visualID_Eng.color attribute) (pyphyschemtools.visualID_Eng.fg attribute) pyphyschemtools module pyphyschemtools.aithermo module

pyphyschemtools.Chem3D module pyphyschemtools.cheminformatics module pyphyschemtools.core module pyphyschemtools.kinetics module pyphyschemtools.misc module pyphyschemtools.ML module pyphyschemtools.nano module pyphyschemtools.PeriodicTable module pyphyschemtools.spectra module pyphyschemtools.survey module pyphyschemtools.sympyUtilities module pyphyschemtools.tools4AS module pyphyschemtools.units module pyphyschemtools.visualID_Eng module

Q

QRCodeGenerator (class in pyphyschemtools.misc)

R

read_excel() (in module pyphyschemtools.tools4AS) RED (pyphyschemtools.visualID_Eng.color attribute) (pyphyschemtools.visualID_Eng.fg attribute) RenameDfHeader() (in module pyphyschemtools.tools4AS)

ReplaceABSByNan() (in module pyphyschemtools.tools4AS) ReplaceNanBy0() (in module pyphyschemtools.tools4AS) ReplaceNanBy0OLD() (in module pyphyschemtools.tools4AS) results (pyphyschemtools.nano.NanoparticleDistribution property) run() (pyphyschemtools.survey.SurveyApp method)

S

save_data() (in module pyphyschemtools.core) save_draft() (pyphyschemtools.survey.SurveyApp method) save_fig() (in module pyphyschemtools.core) semantic_analysis() (pyphyschemtools.survey.SurveyApp method) show_available_units() (pyphyschemtools.units.PhysicalQuantity class method) (pyphyschemtools.units.Temperature class method) show_bounding_sphere() (pyphyschemtools.Chem3D.molView method) show_cage_cavity() (pyphyschemtools.Chem3D.molView method) show_constants_metadata() (pyphyschemtools.units.PhysicalQuantity static method) show_descriptors() (pyphyschemtools.cheminformatics.easy_rdkit method) show_isomers() (pyphyschemtools.cheminformatics.easy_rdkit method)

show_mol() (pyphyschemtools.cheminformatics.easy_rdkit method) simulate_plot() (pyphyschemtools.kinetics.KORD method) smart_trim() (in module pyphyschemtools.core) SpectrumSimulator (class in pyphyschemtools.spectra) StackedBarPop() (in module pyphyschemtools.tools4AS) StackedBarPopPO() (in module pyphyschemtools.tools4AS) StatsRéussiteParMentionOuParcours() (in module pyphyschemtools.tools4AS) StatsRéussiteParMentionOuParcoursWithAb() (in module pyphyschemtools.tools4AS) submit_form() (pyphyschemtools.survey.SurveyApp method) summarize_by_block() (pyphyschemtools.survey.SurveyApp method) SurveyApp (class in pyphyschemtools.survey)

T

TableauPeriodique (class in pyphyschemtools.PeriodicTable) Temperature (class in pyphyschemtools.units) to() (pyphyschemtools.units.Area method) (pyphyschemtools.units.Density method) (pyphyschemtools.units.Energy method) (pyphyschemtools.units.Length method) (pyphyschemtools.units.Mass method) (pyphyschemtools.units.MolarMass method) (pyphyschemtools.units.Pressure method) (pyphyschemtools.units.Temperature method) (pyphyschemtools.units.Volume method)

to_dict() (pyphyschemtools.cheminformatics.easy_rdkit method) trad (pyphyschemtools.PeriodicTable.TableauPeriodique attribute)

U

UNDERL (pyphyschemtools.visualID_Eng.hl attribute)

underl (pyphyschemtools.visualID_Eng.hl attribute) UNDERLINE (pyphyschemtools.visualID_Eng.color attribute)

V

v (pyphyschemtools.Chem3D.molView attribute) verifNotes() (in module pyphyschemtools.tools4AS)

view_coordination() (in module pyphyschemtools.nano) view_grid() (pyphyschemtools.Chem3D.molView class method) Volume (class in pyphyschemtools.units)

W

WHITE (pyphyschemtools.visualID_Eng.fg attribute)

X

XYZData (class in pyphyschemtools.Chem3D)

Y

y2c() (in module pyphyschemtools.ML)

YELLOW (pyphyschemtools.visualID_Eng.color attribute) (pyphyschemtools.visualID_Eng.fg attribute)