diff --git a/metainfo/.gitkeep b/metainfo/.gitkeep deleted file mode 100644 index e69de29bb2d1d6434b8b29ae775ad8c2e48c5391..0000000000000000000000000000000000000000 diff --git a/metainfo/__init__.py b/metainfo/__init__.py deleted file mode 100644 index fd40910d9e70d6412e5e9919bb62a2d649c27a7c..0000000000000000000000000000000000000000 --- a/metainfo/__init__.py +++ /dev/null @@ -1,4 +0,0 @@ - - - - diff --git a/query_nomad_archive/atomic_properties_dft.py b/query_nomad_archive/atomic_properties_dft.py index 4ec92ac14b7bb621fc0827cf8b182b6239c36cf7..8ae74cf59f614ab1f9b683f8d7735c067d1b1a5e 100644 --- a/query_nomad_archive/atomic_properties_dft.py +++ b/query_nomad_archive/atomic_properties_dft.py @@ -4,7 +4,7 @@ # In[1]: -from metainfo.metainfo import atomic_properties_fhi,metadata +from query_nomad_archive.metainfo import atomic_properties_fhi,metadata import pandas as pd diff --git a/query_nomad_archive/atomic_properties_pymat.py b/query_nomad_archive/atomic_properties_pymat.py index be75909842dd2d22ec1f165bd068b1b4ae07aaf7..7f9f0362208e326aeec6fc2429118c0a15bfc8e0 100644 --- a/query_nomad_archive/atomic_properties_pymat.py +++ b/query_nomad_archive/atomic_properties_pymat.py @@ -4,7 +4,7 @@ # In[1]: -from metainfo.metainfo import atomic_properties_pymat,metadata +from query_nomad_archive.metainfo import atomic_properties_pymat,metadata import pandas as pd import numpy as np import urllib, json, re, typing diff --git a/metainfo/metainfo.py b/query_nomad_archive/metainfo.py similarity index 100% rename from metainfo/metainfo.py rename to query_nomad_archive/metainfo.py diff --git a/query_nomad_archive/periodictable.py b/query_nomad_archive/periodictable.py index 11bc9b27685163f86e7330399b1251d124bae464..54d3fe9ddbfdf4d88d1c7514b1fb0e34cc3e84a0 100644 --- a/query_nomad_archive/periodictable.py +++ b/query_nomad_archive/periodictable.py @@ -106,7 +106,7 @@ def featuret(): def ptableplotgent(Feature): source = ColumnDataSource(dftr) - p2 = figure(plot_width=1000, plot_height=550,title="Periodic Table", + p2 = figure(plot_width=950, plot_height=500,title="Periodic Table", x_range=groups, y_range=list(reversed(periods)), toolbar_location=None,tools="hover") @@ -117,7 +117,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_ea", "@atomic_ea"), + ("atomic_ea", "@atomic_ea eV"), ] #p2.hover.muted_policy = 'ignore' @@ -128,7 +128,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_ip", "@atomic_ip"), + ("atomic_ip", "@atomic_ip eV"), ] #p2.hover.muted_policy = 'ignore' @@ -149,7 +149,7 @@ def ptableplotgent(Feature): high = dftr['atomic mass'].max()) p2.hover.tooltips = [ ("Name", "@name"), - ("Atomic mass", "@{atomic mass}"), + ("Atomic mass", "@{atomic mass} amu"), ("Type", "@metal") ] #p2.hover.muted_policy = 'ignore' @@ -161,7 +161,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_hfomo", "@atomic_hfomo"), + ("atomic_hfomo", "@atomic_hfomo eV"), ] #p2.hover.muted_policy = 'ignore' @@ -172,7 +172,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_hpomo", "@atomic_hpomo"), + ("atomic_hpomo", "@atomic_hpomo eV"), ] #p2.hover.muted_policy = 'ignore' @@ -183,7 +183,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_lfumo", "@atomic_lfumo"), + ("atomic_lfumo", "@atomic_lfumo eV"), ] #p2.hover.muted_policy = 'ignore' @@ -194,7 +194,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_lpumo", "@atomic_hpumo"), + ("atomic_lpumo", "@atomic_hpumo eV"), ] #p2.hover.muted_policy = 'ignore' @@ -205,7 +205,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_lpumo", "@atomic_lpumo"), + ("atomic_lpumo", "@atomic_lpumo eV"), ] #p2.hover.muted_policy = 'ignore' @@ -216,7 +216,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_ip_by_half_charged_homo", "@atomic_ip_by_half_charged_homo"), + ("atomic_ip_by_half_charged_homo", "@atomic_ip_by_half_charged_homo eV"), ] #p2.hover.muted_policy = 'ignore' @@ -227,7 +227,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_ea_by_half_charged_homo", "@atomic_ea_by_half_charged_homo"), + ("atomic_ea_by_half_charged_homo", "@atomic_ea_by_half_charged_homo eV"), ] #p2.hover.muted_policy = 'ignore' @@ -238,7 +238,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_up_s_neg_1", "@atomic_r_up_s_neg_1"), + ("atomic_r_up_s_neg_1", "@atomic_r_up_s_neg_1 pm"), ] #p2.hover.muted_policy = 'ignore' @@ -249,7 +249,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_dn_s_neg_1", "@atomic_r_dn_s_neg_1"), + ("atomic_r_dn_s_neg_1", "@atomic_r_dn_s_neg_1 pm"), ] #p2.hover.muted_policy = 'ignore' @@ -260,7 +260,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_up_p_neg_1", "@atomic_r_up_p_neg_1"), + ("atomic_r_up_p_neg_1", "@atomic_r_up_p_neg_1 pm"), ] #p2.hover.muted_policy = 'ignore' @@ -271,7 +271,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_dn_p_neg_1", "@atomic_r_dn_p_neg_1"), + ("atomic_r_dn_p_neg_1", "@atomic_r_dn_p_neg_1 pm"), ] #p2.hover.muted_policy = 'ignore' @@ -282,7 +282,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_dn_d_neg_1", "@atomic_r_dn_d_neg_1"), + ("atomic_r_dn_d_neg_1", "@atomic_r_dn_d_neg_1 pm"), ] #p2.hover.muted_policy = 'ignore' @@ -293,7 +293,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_up_val_neg_1", "@atomic_r_up_val_neg_1"), + ("atomic_r_up_val_neg_1", "@atomic_r_up_val_neg_1 pm"), ] #p2.hover.muted_policy = 'ignore' @@ -304,7 +304,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_dn_val_neg_1", "@atomic_r_dn_val_neg_1"), + ("atomic_r_dn_val_neg_1", "@atomic_r_dn_val_neg_1 pm"), ] #p2.hover.muted_policy = 'ignore' @@ -315,7 +315,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_up_s_neg_05", "@atomic_r_up_s_neg_05"), + ("atomic_r_up_s_neg_05", "@atomic_r_up_s_neg_05 pm"), ] #p2.hover.muted_policy = 'ignore' @@ -326,7 +326,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_dn_s_neg_05", "@atomic_r_dn_s_neg_05"), + ("atomic_r_dn_s_neg_05", "@atomic_r_dn_s_neg_05 pm"), ] #p2.hover.muted_policy = 'ignore' @@ -337,7 +337,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_up_p_neg_05", "@atomic_r_up_p_neg_05"), + ("atomic_r_up_p_neg_05", "@atomic_r_up_p_neg_05 pm"), ] #p2.hover.muted_policy = 'ignore' @@ -348,7 +348,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_dn_p_neg_05", "@atomic_r_dn_p_neg_05"), + ("atomic_r_dn_p_neg_05", "@atomic_r_dn_p_neg_05 pm"), ] #p2.hover.muted_policy = 'ignore' @@ -359,7 +359,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_up_d_neg_05", "@atomic_r_up_d_neg_05"), + ("atomic_r_up_d_neg_05", "@atomic_r_up_d_neg_05 pm"), ] #p2.hover.muted_policy = 'ignore' @@ -370,7 +370,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_dn_d_neg_05", "@atomic_r_dn_d_neg_05"), + ("atomic_r_dn_d_neg_05", "@atomic_r_dn_d_neg_05 pm"), ] #p2.hover.muted_policy = 'ignore' @@ -381,7 +381,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_up_val_neg_05", "@atomic_r_up_val_neg_05"), + ("atomic_r_up_val_neg_05", "@atomic_r_up_val_neg_05 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_dn_val_neg_05' : @@ -391,7 +391,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_dn_val_neg_05", "@atomic_r_dn_val_neg_05"), + ("atomic_r_dn_val_neg_05", "@atomic_r_dn_val_neg_05 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_up_s' : @@ -401,7 +401,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_up_s", "@atomic_r_up_s"), + ("atomic_r_up_s", "@atomic_r_up_s pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_dn_s' : @@ -411,7 +411,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_dn_s", "@atomic_r_dn_s"), + ("atomic_r_dn_s", "@atomic_r_dn_s pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_up_p' : @@ -421,7 +421,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_up_p", "@atomic_r_up_p"), + ("atomic_r_up_p", "@atomic_r_up_p pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_dn_p' : @@ -431,7 +431,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_dn_p", "@atomic_r_dn_p"), + ("atomic_r_dn_p", "@atomic_r_dn_p pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_up_d' : @@ -441,7 +441,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_up_d", "@atomic_r_up_d"), + ("atomic_r_up_d", "@atomic_r_up_d pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_dn_d' : @@ -451,7 +451,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_dn_d", "@atomic_r_dn_d"), + ("atomic_r_dn_d", "@atomic_r_dn_d pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_up_val' : @@ -461,7 +461,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_up_val", "@atomic_r_up_val"), + ("atomic_r_up_val", "@atomic_r_up_val pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_dn_val' : @@ -471,7 +471,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_dn_val", "@atomic_r_dn_val"), + ("atomic_r_dn_val", "@atomic_r_dn_val pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_up_s_05' : @@ -481,7 +481,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_up_s_05", "@atomic_r_up_s_05"), + ("atomic_r_up_s_05", "@atomic_r_up_s_05 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_dn_s_05' : @@ -491,7 +491,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_dn_s_05", "@atomic_r_dn_s_05"), + ("atomic_r_dn_s_05", "@atomic_r_dn_s_05 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_up_p_05' : @@ -501,7 +501,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_up_p_05", "@atomic_r_up_p_05"), + ("atomic_r_up_p_05", "@atomic_r_up_p_05 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_dn_p_05' : @@ -511,7 +511,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_dn_p_05", "@atomic_r_dn_p_05"), + ("atomic_r_dn_p_05", "@atomic_r_dn_p_05 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_up_d_05' : @@ -521,7 +521,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_up_d_05", "@atomic_r_up_d_05"), + ("atomic_r_up_d_05", "@atomic_r_up_d_05 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_dn_d_05' : @@ -531,7 +531,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_dn_d_05", "@atomic_r_dn_d_05"), + ("atomic_r_dn_d_05", "@atomic_r_dn_d_05 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_up_val_05' : @@ -541,7 +541,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_up_val_05", "@atomic_r_up_val_05"), + ("atomic_r_up_val_05", "@atomic_r_up_val_05 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_dn_val_05' : @@ -551,7 +551,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_dn_val_05", "@atomic_r_dn_val_05"), + ("atomic_r_dn_val_05", "@atomic_r_dn_val_05 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_up_s_1' : @@ -561,7 +561,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_up_s_1", "@atomic_r_up_s_1"), + ("atomic_r_up_s_1", "@atomic_r_up_s_1 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_dn_s_1' : @@ -571,7 +571,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_dn_s_1", "@atomic_r_dn_s_1"), + ("atomic_r_dn_s_1", "@atomic_r_dn_s_1 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_up_p_1' : @@ -581,7 +581,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_up_p_1", "@atomic_r_up_p_1"), + ("atomic_r_up_p_1", "@atomic_r_up_p_1 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_dn_p_1' : @@ -591,7 +591,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_dn_p_1", "@atomic_r_dn_p_1"), + ("atomic_r_dn_p_1", "@atomic_r_dn_p_1 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_up_d_1' : @@ -601,7 +601,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_up_d_1", "@atomic_r_up_d_1"), + ("atomic_r_up_d_1", "@atomic_r_up_d_1 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_dn_d_1' : @@ -611,7 +611,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_dn_d_1", "@atomic_r_dn_d_1"), + ("atomic_r_dn_d_1", "@atomic_r_dn_d_1 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_up_val_1' : @@ -621,7 +621,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_up_val_1", "@atomic_r_up_val_1"), + ("atomic_r_up_val_1", "@atomic_r_up_val_1 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_dn_val_1' : @@ -631,7 +631,7 @@ def ptableplotgent(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_dn_val_1", "@atomic_r_dn_val_1"), + ("atomic_r_dn_val_1", "@atomic_r_dn_val_1 pm"), ] #p2.hover.muted_policy = 'ignore' @@ -671,7 +671,7 @@ def ptableplotgent(Feature): def ptableplotgenf(Feature): source = ColumnDataSource(dffa) - p2 = figure(plot_width=1000, plot_height=550,title="Periodic Table", + p2 = figure(plot_width=950, plot_height=500,title="Periodic Table", x_range=groups, y_range=list(reversed(periods)), toolbar_location=None,tools="hover") @@ -682,7 +682,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_ea", "@atomic_ea"), + ("atomic_ea", "@atomic_ea eV"), ] #p2.hover.muted_policy = 'ignore' @@ -693,7 +693,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_ip", "@atomic_ip"), + ("atomic_ip", "@atomic_ip eV"), ] #p2.hover.muted_policy = 'ignore' @@ -714,7 +714,7 @@ def ptableplotgenf(Feature): high = dffa['atomic mass'].max()) p2.hover.tooltips = [ ("Name", "@name"), - ("Atomic mass", "@{atomic mass}"), + ("Atomic mass", "@{atomic mass} amu"), ("Type", "@metal") ] #p2.hover.muted_policy = 'ignore' @@ -726,7 +726,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_hfomo", "@atomic_hfomo"), + ("atomic_hfomo", "@atomic_hfomo eV"), ] #p2.hover.muted_policy = 'ignore' @@ -737,7 +737,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_hpomo", "@atomic_hpomo"), + ("atomic_hpomo", "@atomic_hpomo eV"), ] #p2.hover.muted_policy = 'ignore' @@ -748,7 +748,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_lfumo", "@atomic_lfumo"), + ("atomic_lfumo", "@atomic_lfumo eV"), ] #p2.hover.muted_policy = 'ignore' @@ -759,7 +759,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_lpumo", "@atomic_hpumo"), + ("atomic_lpumo", "@atomic_hpumo eV"), ] #p2.hover.muted_policy = 'ignore' @@ -770,7 +770,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_lpumo", "@atomic_lpumo"), + ("atomic_lpumo", "@atomic_lpumo eV"), ] #p2.hover.muted_policy = 'ignore' @@ -781,7 +781,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_ip_by_half_charged_homo", "@atomic_ip_by_half_charged_homo"), + ("atomic_ip_by_half_charged_homo", "@atomic_ip_by_half_charged_homo eV"), ] #p2.hover.muted_policy = 'ignore' @@ -792,7 +792,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_ea_by_half_charged_homo", "@atomic_ea_by_half_charged_homo"), + ("atomic_ea_by_half_charged_homo", "@atomic_ea_by_half_charged_homo eV"), ] #p2.hover.muted_policy = 'ignore' @@ -805,7 +805,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_s_neg_1", "@atomic_r_s_neg_1"), + ("atomic_r_s_neg_1", "@atomic_r_s_neg_1 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_p_neg_1' : @@ -815,7 +815,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_p_neg_1", "@atomic_r_p_neg_1"), + ("atomic_r_p_neg_1", "@atomic_r_p_neg_1 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_d_neg_1' : @@ -825,7 +825,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_d_neg_1", "@atomic_r_d_neg_1"), + ("atomic_r_d_neg_1", "@atomic_r_d_neg_1 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_val_neg_1' : @@ -835,7 +835,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_val_neg_1", "@atomic_r_val_neg_1"), + ("atomic_r_val_neg_1", "@atomic_r_val_neg_1 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_s_neg_05' : @@ -845,7 +845,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_s_neg_05", "@atomic_r_s_neg_05"), + ("atomic_r_s_neg_05", "@atomic_r_s_neg_05 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_p_neg_05' : @@ -855,7 +855,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_p_neg_05", "@atomic_r_p_neg_05"), + ("atomic_r_p_neg_05", "@atomic_r_p_neg_05 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_d_neg_05' : @@ -865,7 +865,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_d_neg_05", "@atomic_r_d_neg_05"), + ("atomic_r_d_neg_05", "@atomic_r_d_neg_05 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_val_neg_05' : @@ -875,7 +875,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_val_neg_05", "@atomic_r_val_neg_05"), + ("atomic_r_val_neg_05", "@atomic_r_val_neg_05 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_s' : @@ -885,7 +885,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_s", "@atomic_r_s"), + ("atomic_r_s", "@atomic_r_s pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_p' : @@ -895,7 +895,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_p", "@atomic_r_p"), + ("atomic_r_p", "@atomic_r_p pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_d' : @@ -905,7 +905,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_d", "@atomic_r_d"), + ("atomic_r_d", "@atomic_r_d pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_val' : @@ -915,7 +915,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_val", "@atomic_r_val"), + ("atomic_r_val", "@atomic_r_val pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_s_05' : @@ -925,7 +925,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_s_05", "@atomic_r_s_05"), + ("atomic_r_s_05", "@atomic_r_s_05 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_p_05' : @@ -935,7 +935,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_p_05", "@atomic_r_p_05"), + ("atomic_r_p_05", "@atomic_r_p_05 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_d_05' : @@ -945,7 +945,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_d_05", "@atomic_r_d_05"), + ("atomic_r_d_05", "@atomic_r_d_05 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_val_05' : @@ -955,7 +955,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_val_05", "@atomic_r_val_05"), + ("atomic_r_val_05", "@atomic_r_val_05 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_s_1' : @@ -965,7 +965,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_s_1", "@atomic_r_s_1"), + ("atomic_r_s_1", "@atomic_r_s_1 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_p_1' : @@ -975,7 +975,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_p_1", "@atomic_r_p_1"), + ("atomic_r_p_1", "@atomic_r_p_1 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_d_1' : @@ -985,7 +985,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_d_1", "@atomic_r_d_1"), + ("atomic_r_d_1", "@atomic_r_d_1 pm"), ] #p2.hover.muted_policy = 'ignore' if Feature == 'atomic_r_val_1' : @@ -995,7 +995,7 @@ def ptableplotgenf(Feature): p2.hover.tooltips = [ ("Name", "@name"), ("Type", "@metal"), - ("atomic_r_val_1", "@atomic_r_val_1"), + ("atomic_r_val_1", "@atomic_r_val_1 pm"), ] #p2.hover.muted_policy = 'ignore' @@ -1160,7 +1160,7 @@ def heatmap(Spin = '', method = ''): showfigf() elif Spin.lower() == 'false' and method.lower() =='pbe0': clean(); - df4 = pd.read_csv('./data/csv/no_spin_pbe0_really_tight.csv') + df4 = pd.read_csv('./query_nomad_archive/csv/no_spin_pbe0_really_tight.csv') f(df3,df4) featuref() showfigf() @@ -1196,7 +1196,7 @@ def heatmap(Spin = '', method = ''): showfigt() elif Spin.lower() == 'true' and method.lower() =='pbe0': clean(); - df4 = pd.read_csv('./data/csv/spin_pbe0_really_tight.csv') + df4 = pd.read_csv('./query_nomad_archive/csv/spin_pbe0_really_tight.csv') t(df3,df4) featuret() showfigt() diff --git a/query_nomad_archive_v2.ipynb b/query_nomad_archive_v2.ipynb index 9e59f6d1ed4ce375c91be9b37890e7aa64012887..90e89256c786fbbdf3b0460ea526db4b09abd732 100644 --- a/query_nomad_archive_v2.ipynb +++ b/query_nomad_archive_v2.ipynb @@ -48,7 +48,9 @@ "cell_type": "markdown", "metadata": {}, "source": [ - "We load the following packages that are all available in the virtual environment containing the Jupyter notebooks in the NOMAD AI toolkit. Among the various packages we notice Sklearn, one of the most popular machine learning packages, and pandas, another popular tool for data analysis." + "## Preliminary operations\n", + "\n", + "We load the following packages that are all available in the virtual environment containing the Jupyter notebooks in the NOMAD AI toolkit. Among the loaded packages, we highlight ``sklearn``, i.e., scikit-learn, one of the most popular machine-learning packages, and ``pandas``, a popular tool for data handling and analysis." ] }, { @@ -112,20 +114,25 @@ "cell_type": "markdown", "metadata": {}, "source": [ - "We maintain a \"nomad\" package that can be imported in all notebooks of the AI Toolkit. " + "We maintain a ``nomad`` package that can be imported in all notebooks of the AI Toolkit. " ] }, { "cell_type": "markdown", "metadata": {}, "source": [ - "Nomad package allows to retrieve data from the NOMAD Archive with means of a script, as shown below. In this script we insert metadata characterizing the materials that we aim to retrieve. In this case, we select ternary materials containing Oxygen. We also request that simulations were carried out using the VASP code using GGA exchange-correlation (xc) functionals. Values are retrieved from the simulation run that found geometrically convergence wihin a threshold value of 1e-20. " + "The ``nomad`` package allows to retrieve data from the NOMAD Archive by means of a script, as shown below. In this script, we insert metadata characterizing the materials that we aim to retrieve. In this case, we select ternary materials containing oxygen. We also request that simulations were carried out using the VASP code using GGA exchange-correlation (xc) functionals. Values are retrieved from the simulation run that found geometrically convergence wihin a threshold value of $1 \\cdot 10^{-20}$ J. " ] }, { "cell_type": "code", - "execution_count": 7, - "metadata": {}, + "execution_count": 3, + "metadata": { + "ExecuteTime": { + "end_time": "2021-01-30T18:58:51.268845Z", + "start_time": "2021-01-30T18:58:49.198389Z" + } + }, "outputs": [], "source": [ "from query_nomad_archive import atomic_properties_dft as ap\n", @@ -137,7 +144,53 @@ "cell_type": "markdown", "metadata": {}, "source": [ - "atomic_properties_dft and atomic_properties_pymat modules contain atomic properites of elements accessible from dft calculations and pymatgen source respectively" + "The modules ``atomic_properties_dft`` and ``atomic_properties_pymat`` make available atomic properites of the elements of the periodic table, to be used as features in data analytics. The sources of these atomic proporties are DFT calculations performed by the NOMAD team and <a href=\"https://pymatgen.org/\" target=\"_blank\">pymatgen</a>, respectively." + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "We have developed a visualization tool that allows us to visualize atomic properites of all elements accross periodic table as a heatmap. Currently, this tool is able to visualize atomic properties acessible from ``atomic_properties_dft`` module. Below is an example for the data calculated via the HSE06 functional and spinless settings.\n", + "\n", + "This module can be used as followw. From the dropdown menu, one can select which property one is interested to check and the table is updated automatically to show the corresponding heatmap." + ] + }, + { + "cell_type": "code", + "execution_count": 4, + "metadata": { + "ExecuteTime": { + "end_time": "2021-01-30T18:58:54.340152Z", + "start_time": "2021-01-30T18:58:52.499128Z" + }, + "scrolled": false + }, + "outputs": [ + { + "data": { + "application/vnd.jupyter.widget-view+json": { + "model_id": "b68daff5ac6b442caef01303cf1fd1b7", + "version_major": 2, + "version_minor": 0 + }, + "text/plain": [ + "interactive(children=(Dropdown(description='Feature', options=('atomic number', 'atomic mass', 'atomic_hfomo',…" + ] + }, + "metadata": {}, + "output_type": "display_data" + } + ], + "source": [ + "periodictable.heatmap(Spin = 'False', method = 'hse06')" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Querying the NOMAD Archive" ] }, { @@ -191,11 +244,11 @@ "cell_type": "markdown", "metadata": {}, "source": [ - "We have defined the variable 'query', which allows to perform our query. \n", - "The required condition ensures that all quantities in the simulation run that we are interested in are fetched during the query. For example, we can see quantities as 'chemical_composition' which gives the composition of the material or 'atom_positions' that contains the positon of all atoms after geometric convergence.\n", - "We notice that the variable 'query' contains a number of other variables: the 'max' value sets the maximum number of entries that can be retrieved; the 'per_page' value indicates the number of entries fetched at each API call; the 'parallel' value gives the number of parallel calls that are performed at each iteration.\n", + "We have defined the variable ``query``, which allows to perform our query. \n", + "The required condition ensures that all quantities in the simulation run that we are interested in are fetched during the query. For example, we can see quantities as ``chemical_composition`` which gives the composition of the material or ``atom_positions`` that contains the positon of all atoms after geometric convergence.\n", + "We notice that the variable ``query`` contains a number of other variables: the ``max`` value sets the maximum number of entries that can be retrieved; the ``per_page`` value indicates the number of entries fetched at each API call; the ``parallel`` value gives the number of parallel calls that are performed at each iteration.\n", "\n", - "Printing the variable shows the number of all entries that are accessible using this variable. Please note that the maximum number of retrievable materials is given by the value of 'max_entries' inserted in the query, even if the printed value of 'Number queried entries: ' is larger." + "Printing the variable shows the number of all entries that are accessible using this variable. Please note that the maximum number of retrievable materials is given by the value of ``max_entries`` inserted in the query, even if the printed value of 'Number queried entries: ' is larger." ] }, { @@ -261,7 +314,7 @@ "cell_type": "markdown", "metadata": {}, "source": [ - "In the next cell, we query and fetch data from the NOMAD Archive. As we query a large number of elements, this operation can be time consuming. Hence, we have cached the results of the following query, and data can be loaded with a command given in the subsequent cell." + "In the next cell, we query and fetch data from the NOMAD Archive. **As we query a large number of elements, this operation can be time consuming. Hence, we have cached the results of the following query, and data can be loaded with a command given in the subsequent cell.**" ] }, { @@ -844,22 +897,11 @@ "As clustering algorithm we use HDBSCAN, that is described in:\n", "\n", "<div style=\"padding: 1ex; margin-top: 1ex; margin-bottom: 1ex; border-style: dotted; border-width: 1pt; border-color: blue; border-radius: 3px;\">\n", - "R.J.G.B. Campello, D. Moulavi, J. Sander: <span style=\"font-style: italic;\">Density-Based Clustering Based on Hierarchical Density Estimates</span>, Springer Berlin Heidelberg, (2013).</div>" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ + "R.J.G.B. Campello, D. Moulavi, J. Sander: <span style=\"font-style: italic;\">Density-Based Clustering Based on Hierarchical Density Estimates</span>, Springer Berlin Heidelberg, (2013).</div>\n", "The only input parameter that this algorithm requires is the minimum size of each cluster.\n", "\n", - "To achieve a more accurate cluster definition, HDBSCAN is able to detect all those points that are hardly classified into a specific cluster, which are labeled as 'outliers'.\n" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ + "To achieve a more accurate cluster definition, HDBSCAN is able to detect all those points that are hardly classified into a specific cluster, which are labeled as 'outliers'.\n", + "\n", "The implementation of the algorithm that we use is taken from https://pypi.org/project/hdbscan/." ] }, @@ -1106,382 +1148,6 @@ "# -----------------------------------------------------------------------------------------------------------------" ] }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "We also have recently developed another visualization tool that allows us to visualize atomic properites of all elements accross periodic table as an Heatmap. Using this one can easily gain insight of how the atomic properties of elements are varying. Currently this tool is able to visualize atomic properties acessible from atomic_properties_dft module. All you need to mention Spin setting and functional used to calculate this properties. " - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "Functional for which this properties accessible are 'hse06', 'pbe','pbe0','pbesol','pw-lda','revpbe'\n", - "\n", - "And Spin setting could be either 'True' or 'False'\n", - "\n", - "This module can be used as following. You get a dropdown menu from which one can select which property one is interested to check and the table gets updated automatically." - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "metadata": { - "scrolled": false - }, - "outputs": [ - { - "data": { - "application/javascript": [ - "\n", - "(function(root) {\n", - " function now() {\n", - " return new Date();\n", - " }\n", - "\n", - " var force = true;\n", - "\n", - " if (typeof root._bokeh_onload_callbacks === \"undefined\" || force === true) {\n", - " root._bokeh_onload_callbacks = [];\n", - " root._bokeh_is_loading = undefined;\n", - " }\n", - "\n", - " var JS_MIME_TYPE = 'application/javascript';\n", - " var HTML_MIME_TYPE = 'text/html';\n", - " var EXEC_MIME_TYPE = 'application/vnd.bokehjs_exec.v0+json';\n", - " var CLASS_NAME = 'output_bokeh rendered_html';\n", - "\n", - " /**\n", - " * Render data to the DOM node\n", - " */\n", - " function render(props, node) {\n", - " var script = document.createElement(\"script\");\n", - " node.appendChild(script);\n", - " }\n", - "\n", - " /**\n", - " * Handle when an output is cleared or removed\n", - " */\n", - " function handleClearOutput(event, handle) {\n", - " var cell = handle.cell;\n", - "\n", - " var id = cell.output_area._bokeh_element_id;\n", - " var server_id = cell.output_area._bokeh_server_id;\n", - " // Clean up Bokeh references\n", - " if (id != null && id in Bokeh.index) {\n", - " Bokeh.index[id].model.document.clear();\n", - " delete Bokeh.index[id];\n", - " }\n", - "\n", - " if (server_id !== undefined) {\n", - " // Clean up Bokeh references\n", - " var cmd = \"from bokeh.io.state import curstate; print(curstate().uuid_to_server['\" + server_id + \"'].get_sessions()[0].document.roots[0]._id)\";\n", - " cell.notebook.kernel.execute(cmd, {\n", - " iopub: {\n", - " output: function(msg) {\n", - " var id = msg.content.text.trim();\n", - " if (id in Bokeh.index) {\n", - " Bokeh.index[id].model.document.clear();\n", - " delete Bokeh.index[id];\n", - " }\n", - " }\n", - " }\n", - " });\n", - " // Destroy server and session\n", - " var cmd = \"import bokeh.io.notebook as ion; ion.destroy_server('\" + server_id + \"')\";\n", - " cell.notebook.kernel.execute(cmd);\n", - " }\n", - " }\n", - "\n", - " /**\n", - " * Handle when a new output is added\n", - " */\n", - " function handleAddOutput(event, handle) {\n", - " var output_area = handle.output_area;\n", - " var output = handle.output;\n", - "\n", - " // limit handleAddOutput to display_data with EXEC_MIME_TYPE content only\n", - " if ((output.output_type != \"display_data\") || (!output.data.hasOwnProperty(EXEC_MIME_TYPE))) {\n", - " return\n", - " }\n", - "\n", - " var toinsert = output_area.element.find(\".\" + CLASS_NAME.split(' ')[0]);\n", - "\n", - " if (output.metadata[EXEC_MIME_TYPE][\"id\"] !== undefined) {\n", - " toinsert[toinsert.length - 1].firstChild.textContent = output.data[JS_MIME_TYPE];\n", - " // store reference to embed id on output_area\n", - " output_area._bokeh_element_id = output.metadata[EXEC_MIME_TYPE][\"id\"];\n", - " }\n", - " if (output.metadata[EXEC_MIME_TYPE][\"server_id\"] !== undefined) {\n", - " var bk_div = document.createElement(\"div\");\n", - " bk_div.innerHTML = output.data[HTML_MIME_TYPE];\n", - " var script_attrs = bk_div.children[0].attributes;\n", - " for (var i = 0; i < script_attrs.length; i++) {\n", - " toinsert[toinsert.length - 1].firstChild.setAttribute(script_attrs[i].name, script_attrs[i].value);\n", - " }\n", - " // store reference to server id on output_area\n", - " output_area._bokeh_server_id = output.metadata[EXEC_MIME_TYPE][\"server_id\"];\n", - " }\n", - " }\n", - "\n", - " function register_renderer(events, OutputArea) {\n", - "\n", - " function append_mime(data, metadata, element) {\n", - " // create a DOM node to render to\n", - " var toinsert = this.create_output_subarea(\n", - " metadata,\n", - " CLASS_NAME,\n", - " EXEC_MIME_TYPE\n", - " );\n", - " this.keyboard_manager.register_events(toinsert);\n", - " // Render to node\n", - " var props = {data: data, metadata: metadata[EXEC_MIME_TYPE]};\n", - " render(props, toinsert[toinsert.length - 1]);\n", - " element.append(toinsert);\n", - " return toinsert\n", - " }\n", - "\n", - " /* Handle when an output is cleared or removed */\n", - " events.on('clear_output.CodeCell', handleClearOutput);\n", - " events.on('delete.Cell', handleClearOutput);\n", - "\n", - " /* Handle when a new output is added */\n", - " events.on('output_added.OutputArea', handleAddOutput);\n", - "\n", - " /**\n", - " * Register the mime type and append_mime function with output_area\n", - " */\n", - " OutputArea.prototype.register_mime_type(EXEC_MIME_TYPE, append_mime, {\n", - " /* Is output safe? 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Possible fixes:\\n\"+\n", - " \"</p>\\n\"+\n", - " \"<ul>\\n\"+\n", - " \"<li>re-rerun `output_notebook()` to attempt to load from CDN again, or</li>\\n\"+\n", - " \"<li>use INLINE resources instead, as so:</li>\\n\"+\n", - " \"</ul>\\n\"+\n", - " \"<code>\\n\"+\n", - " \"from bokeh.resources import INLINE\\n\"+\n", - " \"output_notebook(resources=INLINE)\\n\"+\n", - " \"</code>\\n\"+\n", - " \"</div>\"}};\n", - "\n", - " function display_loaded() {\n", - " var el = document.getElementById(null);\n", - " if (el != null) {\n", - " el.textContent = \"BokehJS is loading...\";\n", - " }\n", - " if (root.Bokeh !== undefined) {\n", - " if (el != null) {\n", - " el.textContent = \"BokehJS \" + root.Bokeh.version + \" successfully loaded.\";\n", - " }\n", - " } else if (Date.now() < root._bokeh_timeout) {\n", - " setTimeout(display_loaded, 100)\n", - " }\n", - " }\n", - "\n", - "\n", - " function run_callbacks() {\n", - " try {\n", - " root._bokeh_onload_callbacks.forEach(function(callback) {\n", - " if (callback != null)\n", - " callback();\n", - " });\n", - " } finally {\n", - " delete root._bokeh_onload_callbacks\n", - " }\n", - " console.debug(\"Bokeh: all callbacks have finished\");\n", - " }\n", - "\n", - " function load_libs(css_urls, js_urls, callback) {\n", - " if (css_urls == null) css_urls = [];\n", - " if (js_urls == null) js_urls = [];\n", - "\n", - " root._bokeh_onload_callbacks.push(callback);\n", - " if (root._bokeh_is_loading > 0) {\n", - " console.debug(\"Bokeh: BokehJS is being loaded, scheduling callback at\", now());\n", - " return null;\n", - " }\n", - " if (js_urls == null || js_urls.length === 0) {\n", - " run_callbacks();\n", - " return null;\n", - " }\n", - " console.debug(\"Bokeh: BokehJS not loaded, scheduling load and callback at\", now());\n", - " root._bokeh_is_loading = css_urls.length + js_urls.length;\n", - "\n", - " function on_load() {\n", - " root._bokeh_is_loading--;\n", - " if (root._bokeh_is_loading === 0) {\n", - " console.debug(\"Bokeh: all BokehJS libraries/stylesheets loaded\");\n", - " run_callbacks()\n", - " }\n", - " }\n", - "\n", - " function on_error() {\n", - " console.error(\"failed to load \" + url);\n", - " }\n", - "\n", - " for (var i = 0; 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If loading BokehJS from CDN, this \\n\"+\n \"may be due to a slow or bad network connection. 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