auto.py

# -*- coding: utf-8 -*
import paramgroup
from diffpy.pyfullprof.exception import *
from run import *
import shutil
import numpy
import os
import com
# from PyQt4 import QtCore
rwplist=[];
rwplist_all=[];
rwp_all=[];
tag="auto->"
option_this={ "label": 1,
         "path" : "tmp",
         "clear_one": False,
         "clear_all": True,
         "alt":None,
         "rwp":rwplist
}
#auto rietveld
def autorun(pcrname,param_switch=None,r=None,param_order_num=None,option=option_this):
    if r == None:
        r = Run()
        r.reset(pcrname, "tmp")
    r.fit.set("NCY",com.run_set.NCY) #set number of circle is 10
    #sys.stdout=com.ui;
    # print tag,param_switch
    job=r.job #get the job type of the Run,job=0 Xray; job=1 CW
    Pg=paramgroup.Pgs[job]
    com.target=Pg.target
    #get the order of the params
    if param_order_num==None:
        param_order_num=Pg.Param_Num_Order
    print param_switch
    if param_switch==None:
        param_switch=[]
        for i in r.params.paramlist:
            param_switch.append(True)

    Pg.get_order(r.params,param_switch,param_order_num)
    order=Pg.order
    
    tmp_r=10000
    goodr=10000
    error=0
    #the out messenge
    out=open(r.pcrfilename+"_order_out.txt","w")
    rwplist_out=open(r.pcrfilename+"_rwplist.txt","w")
    step=0;
    #rietveld according to the order
    for i in order:
        error=0
        out.write(r.params.get_param_fullname(i)+"\n")
        out.flush() 
        r.setParam(i,True)
        r.writepcr()
        param_name=r.params.get_param_fullname(i)
        #try catch the error of the pcr file
        try:
            r.runfp()
            if(option["clear_one"]==True):r.setParam(i,False)
            r.writepcr()
        except RietPCRError:
            r.err=11    # err=11 pcrfile error
        except RietError:
            r.err=12
        except Exception:
            r.err=13
            
        #check error
        com.R=r.R   # target funcrion setting
        exec(com.target["string"])
        target_r=MIN
        if r.err!=0:
            error+=0x01
        if target_r>goodr or target_r !=target_r:        
            error+=0x10
            
        #if error back()
        
        if error > 0:
            # 精修无错误,rwp没减小
            if r.err == 0 :
                rwplist_all.append(target_r)
                r.back()
            # 精修有错误,没有保存,故不改变step_index
            if r.err != 0 :
                r.back_no_step()
                
        #if no error
        step+=1
        progress=step*1.0/len(order)*100
        progress=int(progress)
        out_str="autofp_status:"+param_name+":"+str(progress)
        out_str=com.text_style["normal"]+out_str
        if com.mode=="ui":
            com.ui.write_status(out_str)
        if error==0:
            goodr=target_r
            if com.mode=="ui":
                com.ui.write("step = "+str(r.step_index))
                com.ui.write(param_name)
                com.ui.write(com.target["name"]+": "+str(target_r)+"\n", style="ok")
                com.ui.write("Rwp= "+str(r.R["Rwp"]), style="ok")
                com.ui.write(str(r.R),style="ok")
                if com.autofp_delay>0:
                    com.time.sleep(com.autofp_delay)
            Rwp=r.R["Rwp"]
            rwplist.append(Rwp);
            rwplist_all.append(Rwp);
            com.Rwplist.append(Rwp)
            numpy.savetxt("rwp.txt",numpy.array(rwplist))
            numpy.savetxt("rwp_all.txt",numpy.array(rwplist_all))
            numpy.savetxt("rwplist.txt",numpy.array(com.Rwplist))
            out.write("step:    "+str(r.step_index)+"\n") 
            
        out.write(str(error)+"\n")
        out.write(str(target_r)+"\n")
        out.flush()
        tmp_r=target_r
        # autofp is stoped ?
        if com.autofp_running == False:
            break
        if com.wait>0: time=__import__("time");time.sleep(com.wait)
    out.close()
    
    print(goodr)
    option["alt"].complete()
    com.ui.write("complete !\n")
    
    if(option["clear_all"]==True):
        for i in order:
            r.setParam(i,False)
        r.writepcr()
    r.runfp() # run FP to create the PRF
    print "rwp:",rwplist
    for i in rwplist:
        rwplist_out.write(str(i)+"\n")
    rwplist_out.close()
    numpy.savetxt("OK.txt",rwplist)
    if rwplist!=[]:
        if abs(rwplist[-1]-rwplist[0])<setting.run_set.eps:
            com.des=True
    if rwplist==[]:com.des=True
    if(com.run_set.rm_tmp_done==True):
        shutil.rmtree(r.tmpdir)
    if(com.run_set.show_rwp==True):
        com.show_plot.show_stable(rwplist)
    if com.run_mode>0:
        com.ui.autofp_done_signal.emit(goodr)
    rwp_all.append(rwplist)
    print rwp_all # The good Rwp of all cycles
    # numpy.savetxt("rwp_all_cycles.txt",numpy.array(rwp_all))
    return goodr
if __name__ == "__main__":
    pcr="y2o3"
    copyfile(pcr+"/"+pcr+".pcr","auto/"+pcr+".pcr")
    copyfile(pcr+"/"+pcr+".dat","auto/"+pcr+".dat")
    copyfile(pcr+"/"+pcr+".out","auto/"+pcr+".out")    
    autorun("auto/"+pcr+".pcr")