• Language: en

METHOD_OPTIONS

Type: dict_record

method options for comp_script

Example:-

METHOD_OPTIONS:
    py_module: comp
    rand_seed: 12345
    float_format: default

py_module

Type: one_of(comp)

Python module required to process this script file

Example:-

py_module: comp

rand_seed

Type: int / auto

Option to set seed to make run result reproducible -e.g. when debugging.

Example:-

rand_seed: 12345

float_format

Type: str

Format string for numerical output

Example:-

float_format: default

PARALLEL

Type: one_of_record

one of many possible servers

Example:-

PARALLEL:
    SINGLE: {}

SINGLE

Type: dict_record

single process server spec.

Example:-

SINGLE: {}

MPI_WORKERS

Type: dict_record

MPI local server spec.

Example:-

MPI_WORKERS:
    n_workers: auto
    cpu_load: 1.0

n_workers

Type: int / auto

Number of workers to use on this machine, defaults to number of processors, but could be more or fewer.

Example:-

n_workers: auto

cpu_load

Type: float

Desired load on CPU as a decimal greater than 0.0 (0%) and less than or equal to 1.0 (100%)

Example:-

cpu_load: 1.0

DESCRIPTION

Type: dict_record

Description fields for script.

Example:-

DESCRIPTION:
    name: my_pkpd_model
    title: My PKPD model
    author: My Name
    abstract: |
        Abstract describing the model
    keywords: ['pkpd']

name

Type: str

Unique name used to distinguish script

Example:-

name: my_pkpd_model

title

Type: str

A longer text string that could serve as a title

Example:-

title: My PKPD model

author

Type: str

Author of the model

Example:-

author: My Name

abstract

Type: verbatim

Abstract paragraph describing model

Example:-

abstract: |
    Abstract describing the model

keywords

Type: list

Keywords list used to categorise models.

Example:-

keywords: ['pkpd']

FILE_PATHS

Type: dict_record

File paths for comp script

Example:-

FILE_PATHS:
    output_folder: auto
    temp_folder: auto
    log_folder: auto
    output_file_ext: ['svg']
    delete_old_files_flag: False
    gen_script_path: my_pkpd_model_gen.pyml
    gen_output_folder: my_pkpd_model_gen.pyml_output
    fit_script_path: my_pkpd_model_fit.pyml
    fit_output_folder: my_pkpd_model_fit.pyml_output
    solutions:
        fit_obs: input_observations_soln.pyml
        gen_pred: my_pkpd_model_gen.pyml_output\generated_data\solution.pyml
        gen_sim_pred: my_pkpd_model_gen.pyml_output\my_pkpd_model_sim.pyml_output\gen_pred\solution.pyml
        final_fit_ipred: my_pkpd_model_fit.pyml_output\solN\solution.pyml
        final_fit_sim_ipred: my_pkpd_model_fit.pyml_output\my_pkpd_model_sim.pyml_output\final_fit_ipred\solution.pyml

output_folder

Type: output_folder / auto

Output folder - results of computation stored here

Example:-

output_folder: auto

temp_folder

Type: output_folder / auto

Temp folder - temporary files stored here

Example:-

temp_folder: auto

log_folder

Type: output_folder / auto

Log folder - log files stored here

Example:-

log_folder: auto

output_file_ext

Type: list_of(pdf,png,svg)

Output file extension - determines graphical output file format.

Example:-

output_file_ext: ['svg']

delete_old_files_flag

Type: bool

Option to delete any existing files before running.

Example:-

delete_old_files_flag: False

gen_script_path

Type: input_file / auto

Path to gen_script.

Example:-

gen_script_path: my_pkpd_model_gen.pyml

gen_output_folder

Type: output_folder / auto

Gen script output folder.

Example:-

gen_output_folder: my_pkpd_model_gen.pyml_output

fit_script_path

Type: input_file / auto

Path to fit_script.

Example:-

fit_script_path: my_pkpd_model_fit.pyml

fit_output_folder

Type: output_folder / auto

Fit script output folder.

Example:-

fit_output_folder: my_pkpd_model_fit.pyml_output

solutions

Type: dict

Solutions to compare

Example:-

solutions:
    fit_obs: input_observations_soln.pyml
    gen_pred: my_pkpd_model_gen.pyml_output\generated_data\solution.pyml
    gen_sim_pred: my_pkpd_model_gen.pyml_output\my_pkpd_model_sim.pyml_output\gen_pred\solution.pyml
    final_fit_ipred: my_pkpd_model_fit.pyml_output\solN\solution.pyml
    final_fit_sim_ipred: my_pkpd_model_fit.pyml_output\my_pkpd_model_sim.pyml_output\final_fit_ipred\solution.pyml

COMP_OPTIONS

Type: dict_record

Options for comp script

Example:-

COMP_OPTIONS:
    compute_gen_objective_value: True
    compute_fit_objective_value: True

compute_gen_objective_value

Type: bool

Compute objective value of generated data given generated parameters.

Example:-

compute_gen_objective_value: True

compute_fit_objective_value

Type: bool

Compute objective value of generated data using fitted parameters.

Example:-

compute_fit_objective_value: True

OUTPUT_SCRIPTS

Type: dict_record

scripts to output for further processing

Example:-

OUTPUT_SCRIPTS:
    GRPH: {output_mode: none, grph_list: ['OBS_vs_TIME']}

GRPH

Type: dict_record

options to pass to grph script.

Example:-

GRPH:
    output_mode: none
    grph_list: ['OBS_vs_TIME']

output_mode

Type: one_of(none,create,run)

Output options.

Example:-

output_mode: none

grph_list

Type: list(str)

Graph types to plt

Example:-

grph_list: ['OBS_vs_TIME']
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