https://github.com/CoolProp/CoolProp
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Tip revision: 173bc5e06d2c6ffe5f7906349e7e92678f38d9e5 authored by Jorrit Wronski on 11 February 2015, 14:59:18 UTC
Merge branch 'master' into release
Tip revision: 173bc5e
genetic.py
from __future__ import division
import os
import glob
import string
import random
import numpy as np
from scipy.odr import *
import json
import matplotlib.pyplot as plt    
import CoolProp
import CoolProp.CoolProp as CP

LIBRARY = [i/6.0 for i in range(1,151)]+[0.35+i/2000 for i in range(1,100)]+[0.05+0.001*i for i in range(1,100)]+[i+0.5 for i in range(10)]
#LIBRARY = [i/1000 for i in range(1,20000)]
    
class Sample(object):
    def __init__(self,v):
        self.v = v
    
class GeneticAncillaryFitter(object):
    def __init__(self,
               num_samples = 600, # Have this many chromos in the sample group
               num_selected = 60, # Have this many chromos in the selected group
               mutation_factor = 2, # Randomly mutate 1/n of the chromosomes
               num_powers = 5, # How many powers in the fit
               Ref = 'R407C',
               value = 'rhoV',
               addTr = True,
               values = None,
               Tlims = None
                ):
        self.num_samples = num_samples
        self.num_selected = num_selected
        self.mutation_factor = mutation_factor
        self.num_powers = num_powers
        self.addTr = addTr
        self.value = value
        self.Ref = Ref 
        
        #Thermodynamics
        from CoolProp.CoolProp import PropsSI
        
        if values is None:
            self.Tc = PropsSI(Ref,'Tcrit')
            self.pc = PropsSI(Ref,'pcrit')
            self.rhoc = PropsSI(Ref,'rhomolar_critical')
            self.Tmin = PropsSI(Ref,'Tmin')
            if Tlims is None:
                self.T = np.append(np.linspace(self.Tmin+1e-14, self.Tc-1,150), np.logspace(np.log10(self.Tc-1), np.log10(self.Tc)-1e-15,40))
            else:
                self.T = np.linspace(Tlims[0],Tlims[1])
            self.pL = np.array(PropsSI('P','T',self.T,'Q',[0]*len(self.T),Ref))
            self.pV = np.array(PropsSI('P','T',self.T,'Q',[1]*len(self.T),Ref))
            self.rhoL = PropsSI('Dmolar','T',self.T,'Q',[0]*len(self.T),Ref)
            self.rhoV = PropsSI('Dmolar','T',self.T,'Q',[1]*len(self.T),Ref)
        else:
            self.Tc = values['Tcrit']
            self.pc = values['pcrit']
            self.rhoc = values['rhocrit']
            self.Tmin = values['Tmin']
            self.T = np.array(values['T'])
            self.p = np.array(values['p'])
            self.pL = np.array(values['p'])
            self.pV = np.array(values['p'])
            self.rhoL = np.array(values['rhoL'])
            self.rhoV = np.array(values['rhoV'])
        
        self.logpLpc = (np.log(self.pL)-np.log(self.pc))
        self.logpVpc = (np.log(self.pV)-np.log(self.pc))
        self.rhoLrhoc = np.array(self.rhoL)/self.rhoc
        self.rhoVrhoc = np.array(self.rhoV)/self.rhoc
        self.logrhoLrhoc = np.log(self.rhoL)-np.log(self.rhoc)
        self.logrhoVrhoc = np.log(self.rhoV)-np.log(self.rhoc)
        
        self.x = 1.0-self.T/self.Tc
        
        MM = PropsSI(Ref,'molemass')
        self.T_r = self.Tc
        
        if self.value == 'pL':
            self.LHS = self.logpLpc.copy()
            self.EOS_value = self.pL.copy()
            if self.addTr == False:
                self.description = "p' = pc*exp(sum(n_i*theta^t_i))"
            else:
                self.description = "p' = pc*exp(Tc/T*sum(n_i*theta^t_i))"
            self.reducing_value = self.pc
        elif self.value == 'pV':
            self.LHS = self.logpVpc.copy()
            self.EOS_value = self.pV.copy()
            if self.addTr == False:
                self.description = "p'' = pc*exp(sum(n_i*theta^t_i))"
            else:
                self.description = "p'' = pc*exp(Tc/T*sum(n_i*theta^t_i))"
            self.reducing_value = self.pc
        elif self.value == 'rhoL':
            self.LHS = self.logrhoLrhoc.copy()
            self.EOS_value = self.rhoL
            if self.addTr == False:
                self.description = "rho' = rhoc*exp(sum(n_i*theta^t_i))"
            else:
                self.description = "rho' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))"
            self.reducing_value = self.rhoc
        elif self.value == 'rhoV':
            self.LHS = self.logrhoVrhoc.copy()
            self.EOS_value = self.rhoV
            if self.addTr == False:
                self.description = "rho'' = rhoc*exp(sum(n_i*theta^t_i))"
            else:
                self.description = "rho'' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))"
            self.reducing_value = self.rhoc
        elif self.value == 'rhoLnoexp':
            self.LHS = (self.rhoLrhoc-1).copy()
            self.EOS_value = self.rhoL
            self.description = "rho' = rhoc*(1+sum(n_i*theta^t_i))"
            self.reducing_value = self.rhoc
        else:
            raise ValueError
            
        if self.value == 'rhoLnoexp' and self.addTr:
            raise ValueError('Invalid combination')
            
        if self.addTr:
            self.LHS *= self.T/self.Tc

    def generate_random_chromosomes(self,):
        ''' 
        Create a list of random chromosomes to seed our alogrithm.
        '''
        chromos = []
        while len(chromos) < self.num_samples:
            chromos.append(Sample(sorted(random.sample(LIBRARY,self.num_powers))))
        return chromos

    def fitness(self, chromo):
        ''' 
        Fitness of a chromo is the sum of the squares of the error of the correlation
        '''
        
        # theta^t where the i-th row is equal to theta^t[i]
        # We need these terms later on to build the A and b matrices
        theta_t = (self.x.reshape(-1, 1)**chromo.v).T
        
        # TODO: more numpy broadcasting should speed this up even more
        # Another few times faster ought to be possible
        I = len(chromo.v)
        A = np.zeros((I,I))
        b = np.zeros((I,1))
        for i in range(I):
            for j in range(I):
                A[i,j] = np.sum(theta_t[i]*theta_t[j])
            b[i] = np.sum(theta_t[i]*self.LHS)
        
        # If you end up with a singular matrix, quit this run
        try:
            n = np.linalg.solve(A, b).T
        except np.linalg.linalg.LinAlgError as E:
            chromo.fitness = 1e99
            return
        
        chromo.beta = n
        RHS = np.sum(n * self.x.reshape(-1, 1)**chromo.v, axis = 1)
            
        if self.addTr:
            RHS *= self.Tc/self.T
            
        if self.value in ['pL','pV']:
            fit_value = np.exp(RHS)*self.pc
        elif self.value in ['rhoL','rhoV']:
            fit_value = np.exp(RHS)*self.rhoc
        elif self.value == 'rhoLnoexp':
            fit_value = self.rhoc*(1+RHS)
        else:
            raise ValueError
        
        max_abserror = np.max(np.abs((fit_value/self.EOS_value)-1)*100)
        
        chromo.fitness = max_abserror
        chromo.fit_value = fit_value
        chromo.max_abserror = max_abserror
        
        return chromo.fitness

    def tourny_select_chromo(self, samples):
        ''' 
        Randomly select two chromosomes from the samples, then return the one
        with the best fitness.
        '''
        a = random.choice(samples)
        b = random.choice(samples)
        if a.fitness < b.fitness:
            return a
        else:
            return b

    def breed(self, a, b):
        ''' 
        Breed two chromosomes by splicing them in a random spot and combining
        them together to form two new chromos.
        '''
        splice_pos = random.randrange(len(a.v))
        new_a = a.v[:splice_pos] + b.v[splice_pos:]
        new_b = b.v[:splice_pos] + a.v[splice_pos:]
        return Sample(sorted(new_a)), Sample(sorted(new_b))

    def mutate(self, chromo):
        ''' 
        Mutate a chromosome by changing one of the parameters, but only if it improves the fitness
        '''
        v = chromo.v
        if hasattr(chromo,'fitness'):
            old_fitness = chromo.fitness
        else:
            old_fitness = self.fitness(chromo)
        
        for i in range(10):
            pos = random.randrange(len(chromo.v))
            chromo.v[pos] = random.choice(LIBRARY)
            new_fitness = self.fitness(chromo)
            if new_fitness < old_fitness:
                return chromo
            else:
                return Sample(sorted(v))

    def run(self):
        # Create a random sample of chromos
        samples = self.generate_random_chromosomes()
        
        # Calculate the fitness for the initial chromosomes
        for chromo in samples:
            self.fitness(chromo)
#         print '#'
    
        decorated = [(sample.fitness,sample) for sample in samples]
        decorated.sort()
        samples = [s for sv,s in decorated]
        values = [sv for sv,s in decorated]
        plt.plot(values[0:len(values)//2])
        plt.close()

        # Main loop: each generation select a subset of the sample and breed from
        # them.
        generation = -1
        while generation < 0 or samples[0].fitness > 0.02 or (generation < 3 and generation < 15):
            generation += 1
                
            # Generate the selected group from sample- take the top 10% of samples
            # and tourny select to generate the rest of selected.
            ten_percent = int(len(samples)*.1)
            selected = samples[:ten_percent]
            while len(selected) < self.num_selected:
                selected.append(self.tourny_select_chromo(samples))
            
            # Generate the solution group by breeding random chromos from selected
            solution = []
            while len(solution) < self.num_samples:
                solution.extend(self.breed(random.choice(selected),
                                         random.choice(selected)))
            
            # Apply a mutation to a subset of the solution set
            mutate_indices = random.sample(range(len(solution)), len(solution)//self.mutation_factor)
            for i in mutate_indices:
                solution[i] = self.mutate(solution[i])
            
            for chromo in solution:
                self.fitness(chromo)
#             print '#'

            decorated = [(sample.fitness,sample) for sample in solution]
            decorated.sort()
            samples = [s for sv,s in decorated]
            
#             print '------------------  Top 10 values  ---------------'
#             for sample in samples[0:10]:
#                 print sample.v, sample.fitness, sample.max_abserror
            
#             print '// Max error is ',samples[0].max_abserror,'% between',np.min(self.T),'and',np.max(self.T),'K'
#             print str(samples[0].v), samples[0].beta.tolist()
                
            # Print useful stats about this generation
            (min, median, max) =  [samples[0].fitness, samples[len(samples)//2].fitness, samples[-1].fitness]
#             print("{0} best value: {1}. fitness: best {2}, median {3}, worst {4}".format(generation, samples[0].v, min, median, max))
            
            # If the string representations of all the chromosomes are the same, stop
            if len(set([str(s.v) for s in samples[0:5]])) == 1:
                break
                
        self.fitness(samples[0])
        
        print self.value
        print '// Max error is ',samples[0].max_abserror,'% between',np.min(self.T),'and',np.max(self.T),'K'
        
        self.fit_value = samples[0].fit_value
    
        j = dict()
        j['n'] = samples[0].beta.squeeze().tolist()
        j['t'] = samples[0].v
        j['Tmin'] = np.min(self.T)
        j['Tmax'] = np.max(self.T)
        j['type'] = self.value
        j['using_tau_r'] = self.addTr
        j['reducing_value'] = self.reducing_value
        j['T_r'] = self.Tc
        
        # Informational, not used
        j['max_abserror_percentage'] = samples[0].max_abserror
        j['description'] = self.description
        
        return j

def build_ancillaries(name, **kwargs):
    
    j = dict()
    j['ANCILLARIES'] = dict()
    gaf = GeneticAncillaryFitter(Ref = name, value = 'pL', addTr = True, num_powers = 6, **kwargs)
    j['ANCILLARIES']['pL'] = gaf.run()
    gaf = GeneticAncillaryFitter(Ref = name, value = 'pV', addTr = True, num_powers = 6, **kwargs)
    j['ANCILLARIES']['pV'] = gaf.run()
    gaf = GeneticAncillaryFitter(Ref = name, value = 'rhoLnoexp', addTr = False, num_powers = 6, **kwargs)
    j['ANCILLARIES']['rhoL'] = gaf.run()
    gaf = GeneticAncillaryFitter(Ref = name, value = 'rhoV', addTr = True, num_powers = 6, **kwargs)
    j['ANCILLARIES']['rhoV'] = gaf.run()
    
    fp = open(os.path.join('ancillaries',name+'_anc.json'),'w')
    print >> fp, json.dumps(j, indent = 2)
    fp.close()

def build_all_ancillaries():
    for fluid in sorted(CoolProp.__fluids__):
        print fluid
        if fluid in ['SES36']:
            build_ancillaries(fluid, Tlims = [CP.Props(fluid,'Ttriple'), CP.Props(fluid, 'Tcrit')-1])
        elif fluid == 'R507A':
            build_ancillaries(fluid, Tlims = [CP.Props(fluid,'Ttriple'), CP.Props(fluid, 'Tcrit')-0.1])
        elif fluid == 'R407F':
            build_ancillaries(fluid, Tlims = [CP.Props(fluid,'Ttriple'), CP.Props(fluid, 'Tcrit')-2])
        else:
            build_ancillaries(fluid)
        
if __name__ == "__main__":
    
    fluid = 'Methanol'
    RPfluid = fluid
    build_ancillaries(RPfluid, Tlims = [CP.PropsSI(fluid,'Ttriple'), CP.PropsSI(fluid, 'Tcrit')-0.01])
    
    #~ build_all_ancillaries()
#     inject_ancillaries()
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