<|file_name|>HHPH2013data_to_burnman.py<|end_file_name|><｜fim▁begin｜># BurnMan - a lower mantle toolkit
# Copyright (C) 2012-2014, Myhill, R., Heister, T., Unterborn, C., Rose, I. and Cottaar, S.
# Released under GPL v2 or later.

# This is a standalone program that converts a tabulated version of the Stixrude and Lithgow-Bertelloni data format into the standard burnman format (printed to stdout)


import sys


def read_dataset(datafile):
    f=open(datafile,'r')
    ds=[]
    for line in f:
        ds.append(line.decode('utf-8').split())
    return ds

ds=read_dataset('HHPH2013_endmembers.dat')

print '# BurnMan - a lower mantle toolkit'
print '# Copyright (C) 2012, 2013, Heister, T., Unterborn, C., Rose, I. and Cottaar, S.'
print '# Released under GPL v2 or later.'
print ''
print '"""'
print 'HHPH_2013'
print 'Minerals from Holland et al 2013 and references therein'
print 'The values in this document are all in S.I. units,'
print 'unlike those in the original paper'
print 'File autogenerated using HHPHdata_to_burnman.py'
print '"""'
print ''
print 'from burnman.mineral import Mineral'
print 'from burnman.solidsolution import SolidSolution'
print 'from burnman.solutionmodel import *'
print 'from burnman.processchemistry import read_masses, dictionarize_formula, formula_mass'
print ''
print 'atomic_masses=read_masses()'
print ''

print '"""'
print 'ENDMEMBERS'
print '"""'     
print ''

param_scales = [  -1., -1., #not nubmers, so we won't scale
                  1.e3, 1.e3, #kJ -> J
                  1.0, # J/K/mol
                  1.e-5, # kJ/kbar/mol -> m^3/mol
                  1.e3, 1.e-2, 1.e3, 1.e3, # kJ -> J and table conversion for b
                  1.e-5, # table conversion
                  1.e8, # kbar -> Pa
                  1.0, # no scale for K'0
                  1.e-8] #GPa -> Pa # no scale for eta_s 
           

formula='0'
for idx, m in enumerate(ds):
    if idx == 0:
        param_names=m
    else:   
        print 'class', m[0].lower(), '(Mineral):'
        print '    def __init__(self):'
        print ''.join(['        formula=\'',m[1],'\''])
        print '        formula = dictionarize_formula(formula)'
        print '        self.params = {'
        print ''.join(['            \'name\': \'', m[0], '\','])
        print '            \'formula\': formula,'
        print '            \'equation_of_state\': \'hp_tmt\','
        for pid, param in enumerate(m):
            if pid > 1 and pid != 3 and pid<6:
                                <|fim_middle|>


        print '            \'Cp\':', [round(float(m[i])*param_scales[i],10) for i in [6, 7, 8, 9]], ','
        for pid, param in enumerate(m):
            if pid > 9:
                print '            \''+param_names[pid]+'\':', float(param)*param_scales[pid], ','



        print '            \'n\': sum(formula.values()),'
        print '            \'molar_mass\': formula_mass(formula, atomic_masses)}'
        print ''
        print '        self.uncertainties = {'
        print '            \''+param_names[3]+'\':', float(m[3])*param_scales[3], '}'

        print '        Mineral.__init__(self)'
        print ''
<｜fim▁end｜>
                print '            \''+param_names[pid]+'\':', float(param)*param_scales[pid], ','