Index

_

_metropolis() (hgana.mc.MC method) _move() (hgana.mc.MC method)

_run_helper() (hgana.adsorption.Adsorption method) _run_phase() (hgana.mc.MC method)

A

add_mol() (hgana.adsorption.Adsorption method) (hgana.box.Box method)

Adsorption (class in hgana.adsorption)

B

Box (class in hgana.box)

C

column() (in module hgana.utils)

complex() (in module hgana.extract) convert_gro() (in module hgana.extract)

D

double_decoupling() (in module hgana.affinity)

F

filter() (in module hgana.extract)

G

get_cells() (hgana.adsorption.Adsorption method) (hgana.box.Box method) get_im() (hgana.adsorption.Adsorption method) (hgana.box.Box method) get_interaction() (hgana.adsorption.Adsorption method) (hgana.box.Box method) get_mols() (hgana.adsorption.Adsorption method) (hgana.box.Box method)

get_name() (hgana.adsorption.Adsorption method) (hgana.box.Box method) get_num() (hgana.adsorption.Adsorption method) (hgana.box.Box method) get_size() (hgana.adsorption.Adsorption method) (hgana.box.Box method) get_struct() (hgana.adsorption.Adsorption method) (hgana.box.Box method)

H

hgana.affinity (module)

hgana.extract (module) hgana.utils (module)

L

load() (in module hgana.utils)

M

MC (class in hgana.mc) mkdirp() (in module hgana.utils) mmol_g_to_mumol_m2() (in module hgana.utils)

mmol_l_to_mols() (in module hgana.utils) mols_to_mmol_l() (in module hgana.utils) mols_to_mumol_m2() (in module hgana.utils) mumol_m2_to_mols() (in module hgana.utils)

N

number() (in module hgana.affinity)

O

optimize() (hgana.adsorption.Adsorption method)

P

plot_iso() (hgana.adsorption.Adsorption method)

plot_pb() (hgana.adsorption.Adsorption method) plot_time() (in module hgana.affinity)

R

restraints() (in module hgana.extract)

run() (hgana.adsorption.Adsorption method) (hgana.mc.MC method)

S

sample() (in module hgana.affinity) save() (in module hgana.utils) set_im() (hgana.adsorption.Adsorption method) (hgana.box.Box method)

set_interaction() (hgana.adsorption.Adsorption method) (hgana.box.Box method)

T

tic() (in module hgana.utils)

time() (in module hgana.affinity) toc() (in module hgana.utils)