Index

A

analyze() (wetting_angle_kit.analysis.analyzer.BaseTrajectoryAnalyzer method) (wetting_angle_kit.analysis.binning.BinningTrajectoryAnalyzer method) (wetting_angle_kit.analysis.slicing.SlicingTrajectoryAnalyzer method)

analyze_lines() (wetting_angle_kit.analysis.slicing.SurfaceDefinition method) AseParser (class in wetting_angle_kit.parsers) AseWallParser (class in wetting_angle_kit.parsers) AseWaterFinder (class in wetting_angle_kit.parsers)

B

BaseParser (class in wetting_angle_kit.parsers) BaseTrajectoryAnalyzer (class in wetting_angle_kit.analysis.analyzer) BaseTrajectoryPlotter (class in wetting_angle_kit.visualization) BinningTrajectoryAnalyzer (class in wetting_angle_kit.analysis.binning) BinningTrajectoryPlotter (class in wetting_angle_kit.visualization) box_length_max() (wetting_angle_kit.parsers.AseParser method) (wetting_angle_kit.parsers.AseWallParser method) (wetting_angle_kit.parsers.BaseParser method) (wetting_angle_kit.parsers.LammpsDumpParser method) (wetting_angle_kit.parsers.LammpsDumpWallParser method) (wetting_angle_kit.parsers.XYZParser method) (wetting_angle_kit.parsers.XYZWallParser method) (wetting_angle_kit.parsers.XYZWaterFinder method)

box_size_x() (wetting_angle_kit.parsers.AseParser method) (wetting_angle_kit.parsers.AseWallParser method) (wetting_angle_kit.parsers.BaseParser method) (wetting_angle_kit.parsers.LammpsDumpParser method) (wetting_angle_kit.parsers.LammpsDumpWallParser method) (wetting_angle_kit.parsers.XYZParser method) (wetting_angle_kit.parsers.XYZWallParser method) box_size_y() (wetting_angle_kit.parsers.AseParser method) (wetting_angle_kit.parsers.AseWallParser method) (wetting_angle_kit.parsers.BaseParser method) (wetting_angle_kit.parsers.LammpsDumpParser method) (wetting_angle_kit.parsers.LammpsDumpWallParser method) (wetting_angle_kit.parsers.XYZParser method) (wetting_angle_kit.parsers.XYZWallParser method)

C

circular_segment_area() (wetting_angle_kit.visualization.BinningTrajectoryPlotter static method)

compute_contact_angle() (wetting_angle_kit.analysis.binning.HyperbolicTangentModel method) compute_isoline() (wetting_angle_kit.analysis.binning.HyperbolicTangentModel method)

D

DEFAULT_CUTOFF_SIGMA (wetting_angle_kit.analysis.slicing.SurfaceDefinition attribute) DEFAULT_DENSITY_SIGMA (wetting_angle_kit.analysis.slicing.SurfaceDefinition attribute) DEFAULT_INITIAL_PARAMS (wetting_angle_kit.analysis.binning.HyperbolicTangentModel attribute)

density_contribution() (wetting_angle_kit.analysis.slicing.SurfaceDefinition method) density_profile() (wetting_angle_kit.analysis.slicing.SurfaceDefinition static method) DropletSlicePlotter (class in wetting_angle_kit.visualization)

E

evaluate() (wetting_angle_kit.analysis.binning.HyperbolicTangentModel method)

F

find_highest_wall_part() (wetting_angle_kit.parsers.AseWallParser method) find_highest_wall_particle() (wetting_angle_kit.parsers.AseWallParser method) (wetting_angle_kit.parsers.LammpsDumpWallParser method) (wetting_angle_kit.parsers.XYZWallParser method) fit() (wetting_angle_kit.analysis.binning.HyperbolicTangentModel method) frame_count() (wetting_angle_kit.parsers.AseParser method) (wetting_angle_kit.parsers.AseWallParser method) (wetting_angle_kit.parsers.BaseParser method) (wetting_angle_kit.parsers.LammpsDumpParser method) (wetting_angle_kit.parsers.LammpsDumpWallParser method) (wetting_angle_kit.parsers.XYZParser method) (wetting_angle_kit.parsers.XYZWallParser method)

G

get_parameter_strings() (wetting_angle_kit.analysis.binning.HyperbolicTangentModel method) get_parameters() (wetting_angle_kit.analysis.binning.HyperbolicTangentModel method) get_water_finder() (in module wetting_angle_kit.parsers) get_water_oxygen_ids() (wetting_angle_kit.parsers.LammpsDumpWaterFinder method)

get_water_oxygen_indices() (wetting_angle_kit.parsers.AseWaterFinder method) (wetting_angle_kit.parsers.XYZWaterFinder method) get_water_oxygen_positions() (wetting_angle_kit.parsers.AseWaterFinder method) (wetting_angle_kit.parsers.XYZWaterFinder method)

H

HyperbolicTangentModel (class in wetting_angle_kit.analysis.binning)

L

label (wetting_angle_kit.visualization.TrajectoryStats attribute) LammpsDumpParser (class in wetting_angle_kit.parsers) LammpsDumpWallParser (class in wetting_angle_kit.parsers)

LammpsDumpWaterFinder (class in wetting_angle_kit.parsers) load_dump_ovito() (wetting_angle_kit.parsers.LammpsDumpWallParser method) load_xyz_file() (wetting_angle_kit.parsers.XYZParser method) (wetting_angle_kit.parsers.XYZWaterFinder method)

M

mean_contact_angle (wetting_angle_kit.visualization.TrajectoryStats attribute) mean_surface_area (wetting_angle_kit.visualization.TrajectoryStats attribute) method_name (wetting_angle_kit.visualization.TrajectoryStats attribute) MIN_POINTS_PER_RAY (wetting_angle_kit.analysis.slicing.SurfaceDefinition attribute) module wetting_angle_kit.analysis.analyzer wetting_angle_kit.analysis.binning wetting_angle_kit.analysis.slicing wetting_angle_kit.parsers wetting_angle_kit.visualization

N

n_samples (wetting_angle_kit.visualization.TrajectoryStats attribute)

P

parse() (wetting_angle_kit.parsers.AseParser method) (wetting_angle_kit.parsers.AseWallParser method) (wetting_angle_kit.parsers.BaseParser method) (wetting_angle_kit.parsers.LammpsDumpParser method) (wetting_angle_kit.parsers.LammpsDumpWallParser method) (wetting_angle_kit.parsers.XYZParser method) (wetting_angle_kit.parsers.XYZWallParser method) (wetting_angle_kit.parsers.XYZWaterFinder method)

parse_liquid_particles() (wetting_angle_kit.parsers.AseParser method) (wetting_angle_kit.parsers.XYZParser method) plot_angle_evolution() (wetting_angle_kit.visualization.BinningTrajectoryPlotter method) (wetting_angle_kit.visualization.SlicingTrajectoryPlotter method) plot_density_contour() (wetting_angle_kit.visualization.BinningTrajectoryPlotter method) plot_surface_points() (wetting_angle_kit.visualization.DropletSlicePlotter method)

S

SlicingTrajectoryAnalyzer (class in wetting_angle_kit.analysis.slicing) SlicingTrajectoryPlotter (class in wetting_angle_kit.visualization) std_contact_angle (wetting_angle_kit.visualization.TrajectoryStats attribute)

summary() (wetting_angle_kit.visualization.BaseTrajectoryPlotter method) (wetting_angle_kit.visualization.BinningTrajectoryPlotter method) (wetting_angle_kit.visualization.SlicingTrajectoryPlotter method) SurfaceDefinition (class in wetting_angle_kit.analysis.slicing)

T

TrajectoryStats (class in wetting_angle_kit.visualization)

W

wetting_angle_kit.analysis.analyzer module wetting_angle_kit.analysis.binning module wetting_angle_kit.analysis.slicing module

wetting_angle_kit.parsers module wetting_angle_kit.visualization module

X

XYZParser (class in wetting_angle_kit.parsers)

XYZWallParser (class in wetting_angle_kit.parsers) XYZWaterFinder (class in wetting_angle_kit.parsers)