density_reaction_mixture.py

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import os
import modena
from modena import CFunction, IndexSet, \
    ForwardMappingModel, BackwardMappingModel, SurrogateModel
import modena.Strategy as Strategy
from fireworks.user_objects.firetasks.script_task import FireTaskBase, ScriptTask
from fireworks import Firework, Workflow, FWAction
from fireworks.utilities.fw_utilities import explicit_serialize
from blessings import Terminal
from jinja2 import Template


term = Terminal()

f = CFunction(
    Ccode='''
#include "modena.h"
#include "math.h"
void densityreactionmixture
(
    const modena_model_t* model,
    const double* inputs,
    double *outputs
)
{
    {% block variables %}{% endblock %}

    const double a_L0 = parameters[0];
    const double b_L0 = parameters[1];
    const double a_P0 = parameters[2];
    const double b_P0 = parameters[3];

    outputs[0] = ((a_L0*T + b_L0) + ((a_P0*T + b_P0) - (a_L0*T + b_L0))*XOH);
}
''',
    # These are global bounds for the function
    inputs={
        'T': { 'min': 273, 'max': 550},
        'XOH': { 'min': 0, 'max': 1},
    },
    outputs={
        'density_polymer': { 'min': 0, 'max': 8000, 'argPos': 0 },
    },
    parameters={
        'param0': { 'min': -9e99, 'max': +9e99, 'argPos': 0 },
        'param1': { 'min': 0.0, 'max': +9e99, 'argPos': 1 },
        'param2': { 'min': -9e99, 'max': +9e99, 'argPos': 2 },
        'param3': { 'min': 0.0, 'max': +9e99, 'argPos': 3 },
    },
)

m = ForwardMappingModel(
    _id='density_reaction_mixture',
    surrogateFunction=f,
    substituteModels= [ ],
    parameters=[-0.0006, 1287.8, -0.000048, 992.8],
)