new module damask_test, set compile=false as default in msc_tools, added first draft of material.config generator to damask_tools

lib/damask_test.py

@@ -0,0 +1,112 @@
+#!/usr/bin/env python
+import os, sys
+import subprocess,shutil
+
+import damask_tools; reload(damask_tools)
+import msc_tools; reload(msc_tools)  
+
+damask_tools.DAMASK_TOOLS().check_env()
+  
+class DAMASK_TEST():
+    modelname=None
+    jobname=None
+    testdir=None
+    spectral_options=None
+    orientations=[]
+    compile=False
+        
+    def run_test(self):
+        self.modelname='one_element_model'    
+        self.jobname='job1'
+        self.testdir='2001_hex_plastic'
+        self.orientations=[]
+
+        self.clean_current_results()        
+        if self.calc_current_results() is False:
+          return False
+        print('simulation finished')          
+        self.postprocess()
+        if self.compare_to_reference() is False:
+          return False
+        print 'Test OK'
+        return True
+
+    def clean_current_results(self):
+        try:
+          shutil.rmtree('current_results')
+        except:
+          print('Could not delete current_results')
+        os.mkdir('current_results')
+
+    def calc_current_results(self,compile=None):
+        #theDir = os.path.split(sys.argv[0])[0]
+        #os.chdir(theDir)
+        #os.chdir('..')
+        #os.chdir('%s/testing'%os.getenv('DAMASK_ROOT'))
+        if compile is None: compile=self.compile
+        self.copy_from_ref=[self.modelname+'_'+self.jobname+'.dat',
+                   self.modelname+'.mfd', # for dev
+                   'material.config'
+        ]
+        for file in self.copy_from_ref:
+            shutil.copy2('./reference_results/%s'%file,'./current_results/%s'%file)  
+            # Note: possibly symlinking? No, because copy is OS independent.
+
+        os.chdir('./current_results')
+
+        m=msc_tools.MSC_TOOLS()
+        m.submit_job(compile=compile, compiled_dir='../../../code/')
+        print('simulation submitted')
+        self.exit_number=m.exit_number_from_outFile(outFile=self.modelname+'_'+self.jobname+'.out')
+       
+        if not self.exit_number==3004:
+          print('Job did not exit with No. 3004')
+          return False 
+        return True  
+        
+    def postprocess(self):
+        #print 'postprocessing results ...'
+        #os.system('%s/processing/post/postResults --es "Comp 33 of Stress" %s.t16 --range 100 100 1'%(os.getenv('DAMASK_ROOT'),self.modelname+'_'+self.jobname))
+        print 'postprocessing results ...'
+        file=open('../postprocessing.cmd','r')
+        postproc=file.readlines()
+        file.close()
+        for cmd in postproc:
+          print(cmd)
+          os.system(cmd)        
+        
+    def compare_to_reference(self,tol=1e-5):    
+        import string
+        print 'comparing results against reference_results...'  
+        txt_file=self.modelname+'_'+self.jobname+'.txt'
+        cur=self.read_val_from_file(fname='postProc/'+txt_file)
+        ref=self.read_val_from_file(fname='../reference_results/postProc/'+txt_file)
+        
+        err=abs((ref/cur)-1.) # relative tolerance
+        #err=abs(ref-cur)      # absolute tolerance
+        
+        if err>tol: 
+          print 'Current value:   %e'%cur
+          print 'Reference value: %e'%ref
+          print('err: %e > tol: %e'%(err,tol))
+          return False
+        print('err: %e < tol: %e'%(err,tol))  
+        return True
+        
+    def read_val_from_file(self,fname=None):
+        fid=open(fname,'r')
+        rl=fid.readlines()
+        print rl
+        cur=rl[-1]
+        lst=cur.split('\t')
+        print lst
+        val=float(lst[-1].rstrip())
+        print val
+        fid.close()
+        return val
+        
+
+if __name__ == "__main__":
+    test=DAMASK_TESTER()
+    test.run_test()
+    

lib/damask_tools.py

@@ -6,4 +6,40 @@ class DAMASK_TOOLS():
           print('No DAMASK_ROOT environment variable, did you run DAMASK/installation/setup_shellrc?')
           sys.exit(1)
         else:
-          return True         
+          return True       
+
+
+class MATERIAL_CONFIG():
+    import os,sys
+    
+    def __init__(self):
+    homogenization=[]
+    
+    def add_homogenization(self, name=None, type=None):
+      
+      if type is 'isostrain':
+      h={'type':type}
+      h['ngrains']=ngrains
+      return h
+        
+    def add_crystallite(self, name=None):
+        pass
+    def add_texture(self, name=None):
+        pass
+    def add_phase(self, name=None):
+        pass
+    def add_microstructure(self, name=None, phase=None, texture=None):
+        pass
+
+
+    
+    def write_file(self,label=None):
+      fname='material.config'
+      if label is not None: fname+='_%s'%label
+      #f=open(fname)
+      #f.write()
+      #f.close()
+
+
+class HOMOGENIZATION():
+    type=None      

lib/msc_tools.py

@@ -38,7 +38,7 @@ class MSC_TOOLS():
                  run_marc_path='/msc/marc2010/tools/',
                  subroutine_dir=None,
                  subroutine_name='DAMASK_marc2010',
-                 compile='yes',
+                 compile=False,
                  compiled_dir='../../../code/',
                  modelname='one_element_model',
                  jobname='job1',
@@ -58,7 +58,7 @@ class MSC_TOOLS():
       options=' -nprocd 1  -autorst 0 -ci n  -cr n  -dcoup 0 -b no -v no'
       cmd=run_marc+jid+options
             
-      if compile=='yes' or compile=='y':
+      if compile:
         cmd=cmd+compilation
         print 'Job submission with compilation.'
       else: