def make_all_structures(se,thermal_diff,num_bispec):
lmp_templates=template_gen(thermal_diff,num_bispec)
alld=pd.DataFrame()
dic={se.bounds[0]:2,se.bounds[1]:1,se.bounds[2]:0} #convert the different boundaries to an index
descriptors=[]
#Bi spectrum gathering pipeline
DOUT=make_surface_prototypes(se,alld,dic,lmp_templates)
alld=surfaces(se,alld,descriptors,dic,DOUT,lmp_templates)
DOUT=make_vacancy_prototypes(se,alld,dic,lmp_templates)
alld=vacancies(se,alld,descriptors,DOUT,lmp_templates)
DOUT=make_interstitial_prototypes(se,alld,dic,lmp_templates)
alld=interstitials(se,alld,descriptors,DOUT,lmp_templates)
DOUT=make_dislocations_prototypes(se)
alld=dislocations(se,alld,descriptors,DOUT,lmp_templates)
DOUT=make_grain_prototypes(se,lmp_templates)
alld=grain_boundaries(se,alld,DOUT,lmp_templates)
DOUT=tensile_prototype(se,lmp_templates)
alld=add_tensile_dislocations(se,alld,DOUT,lmp_templates)
alld.index = range(len(alld))
#alld=alld.dropna()
alld=alld[alld['desc']!='Please Drop']
get_timed_performance(se,thermal_diff,num_bispec)
return alld,descriptors,DOUT
def get_timed_performance(se,thermal_diff,num_bispec):
lmp_templates=template_gen(thermal_diff,num_bispec)
with Timer('Grain Generations:'):
DOUT=make_grain_prototypes(se,lmp_templates)
