DescMAP
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Getting Started
Automated Descriptor Selection, Volcano Curve Generation, and Active Site Determination Using the DescMAP Software
User documentation
Introduction
Installation
Overview
API Reference
descmap.selection
descmap.setup
descmap.sampling
descmap.job
descmap.io
descmap.errors
descmap.analysis
ETC
Acknowledgements
About the Authors
Useful Links
View Source Code (GitHub)
Report an Issue
DescMAP
Index
Edit on GitHub
Index
D
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F
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G
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I
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M
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N
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D
descmap.analysis.chemkin
module
descmap.analysis.openmkm
module
descmap.analysis.plot
module
descmap.errors
module
descmap.io
module
descmap.job
module
descmap.sampling
module
descmap.selection
module
descmap.setup
module
DescPoint (class in descmap.sampling)
F
field_len (descmap.sampling.DescPoint attribute)
G
get_best_combination() (in module descmap.selection)
get_combination_score() (in module descmap.selection)
get_component_number() (in module descmap.selection)
get_conversion() (in module descmap.analysis.chemkin)
get_coverage() (in module descmap.analysis.chemkin)
get_descriptors_shape() (in module descmap.job)
get_Eapp() (in module descmap.analysis.chemkin)
get_ellipse() (in module descmap.analysis.openmkm)
get_flow_rates() (in module descmap.analysis.openmkm)
get_fractions() (in module descmap.analysis.openmkm)
get_lhs_map() (in module descmap.sampling)
get_linspace_map() (in module descmap.sampling)
get_lsr_results() (in module descmap.selection)
get_mole_fraction() (in module descmap.analysis.chemkin)
get_reaction_order() (in module descmap.analysis.chemkin)
get_reactor_inputs() (in module descmap.analysis.openmkm)
get_species() (in module descmap.analysis.chemkin)
get_temperature() (in module descmap.analysis.chemkin)
get_tof() (in module descmap.analysis.chemkin)
get_tot_job_num() (in module descmap.job)
I
i (descmap.sampling.DescPoint attribute)
initialize_bep_species() (in module descmap.setup)
initialize_chemkin_reactions() (in module descmap.setup)
initialize_extended_lsr_species() (in module descmap.setup)
initialize_ga_species() (in module descmap.setup)
initialize_interactions() (in module descmap.setup)
initialize_lsr_species() (in module descmap.setup)
initialize_nasa_species() (in module descmap.setup)
initialize_reactions() (in module descmap.setup)
initialize_references() (in module descmap.setup)
initialize_shomate_species() (in module descmap.setup)
M
module
descmap.analysis.chemkin
descmap.analysis.openmkm
descmap.analysis.plot
descmap.errors
descmap.io
descmap.job
descmap.sampling
descmap.selection
descmap.setup
N
name (descmap.sampling.DescPoint attribute)
O
organize_excel_inputs() (in module descmap.io)
P
plot_1d_simple() (in module descmap.analysis.plot)
plot_1d_volcano() (in module descmap.analysis.plot)
plot_contour() (in module descmap.analysis.plot)
plot_coverage() (in module descmap.analysis.plot)
plot_density() (in module descmap.analysis.plot)
plot_ols() (in module descmap.analysis.plot)
R
raise_invalid_sampling_method() (in module descmap.errors)
S
sampling (descmap.sampling.DescPoint attribute)
sampling_map (in module descmap.sampling)
submit_job() (in module descmap.job)
V
val (descmap.sampling.DescPoint attribute)
W
write_Eapp() (in module descmap.analysis.chemkin)
write_lsr_results() (in module descmap.selection)
write_model_output() (in module descmap.analysis.chemkin)
write_out_file() (in module descmap.io)
write_rxn_order() (in module descmap.analysis.chemkin)