mirror of https://gitlab.com/scemama/eplf
303 lines
8.0 KiB
Python
Executable File
303 lines
8.0 KiB
Python
Executable File
#!/usr/bin/env python3
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from math import *
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import input_wrapper
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InputFile = input_wrapper.InputFile
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rw_data = list(input_wrapper.rw_data)
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rw_data.sort()
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ro_data = list(input_wrapper.rw_data)
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ro_data.sort()
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import sys, os
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import tempfile
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editor = os.getenv("EDITOR",default="vi")
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## Data cleaning
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##################
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class Cleaner(object):
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def __init__(self,inp,name):
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self.dir = inp.name
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self.name = name.lower()
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self.inp = inp
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def action(self):
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raise TypeError
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def clean(self):
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print("Removing "+self.name)
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self.action()
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class GridDataCleaner(Cleaner):
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def action(self):
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os.system("rm -f %s/grid_data/%s.gz"%(self.dir,self.name) )
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class AllCleaner(Cleaner):
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def action(self):
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os.system("rm -rf %s/grid"%(self.dir) )
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os.system("rm -rf %s/grid_data"%(self.dir) )
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def clear(x,inp):
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d = { "all": AllCleaner,
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}
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if x in list(d.keys()):
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type = d[x]
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else:
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type = GridDataCleaner
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type(inp,x.replace("_"," ")).clean()
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## Data editing
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###############
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class Editor(object):
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def __init__(self,inp,name):
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self.dir = inp.name
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self.name = name
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self.inp = inp
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def action(self):
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raise TypeError
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def edit(self):
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print("Editing "+self.name)
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self.action()
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class GeometryEditor(Editor):
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def action(self):
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self.charge = self.inp.nucl_charge
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self.coord = self.inp.nucl_coord
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edit_temp_file(self.inp,self.write_geom_file,self.read_geom_file)
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def write_geom_file(self,file,inp):
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print("###########################", file=file)
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print("# Geometry : %s"%(inp.name), file=file)
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print("###########################", file=file)
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print("", file=file)
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fields = "Charge X Y Z"
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format = "%10.1f "+"%10.6f "*3
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fields = fields.split()
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print(" ".join(["#"]+[x.center(10) for x in fields]), file=file)
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print("# "+"-"*11*len(fields)+"\n", file=file)
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charge = self.charge
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coord = self.coord
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for i in range(len(charge)):
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buffer = [ charge[i], coord[0][i], coord[1][i], coord[2][i] ]
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print(" "+format%tuple(buffer), file=file)
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def read_geom_file(self,file,inp):
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lines = file.readlines()
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lines = [x for x in lines if len(x.strip())>0]
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lines = [x for x in lines if not x.startswith("#")]
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lines = [x.split() for x in lines]
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coord = [ [], [], [] ]
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charge = []
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for line in lines:
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charge.append(float(line[-4]))
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coord[0].append(float(line[-3]))
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coord[1].append(float(line[-2]))
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coord[2].append(float(line[-1]))
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inp.coord = coord
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class GridEditor(Editor):
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def action(self):
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self.origin= self.inp.origin
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self.opposite = self.inp.opposite
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self.step_size = self.inp.step_size
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self.point_num = self.inp.point_num
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edit_temp_file(self.inp,self.write_grid_file,self.read_grid_file)
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def write_grid_file(self,file,inp):
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print("###########################", file=file)
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print("# Grid : %s"%(inp.name), file=file)
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print("###########################", file=file)
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print("", file=file)
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print("# Number of points along x, y, z", file=file)
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if self.point_num is None:
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print("Default", file=file)
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else:
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print("%d %d %d"%tuple(self.point_num), file=file)
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print("", file=file)
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print("# Coordinates of the origin (x,y,z)", file=file)
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if self.origin is None:
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print("Default", file=file)
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else:
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print("%f %f %f"%tuple(self.origin), file=file)
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print("", file=file)
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print("# Coordinates of the opposite point (x,y,z)", file=file)
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if self.opposite is None:
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print("Default", file=file)
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else:
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print("%f %f %f"%tuple(self.opposite), file=file)
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print("", file=file)
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print("# Step sizes (x,y,z)", file=file)
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if self.step_size is None:
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print("Default", file=file)
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else:
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print("%f %f %f"%tuple(self.step_size), file=file)
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def read_grid_file(self,file,inp):
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lines = file.readlines()
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lines = [x for x in lines if len(x.strip())>0]
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lines = [x for x in lines if not x.startswith("#")]
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buffer = lines.pop(0).lower().split()
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if buffer[0] != "default":
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self.inp.point_num = list(map(int,buffer))
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else:
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try:
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os.remove("%s/grid/point_num.gz"%self.inp.name)
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except:
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pass
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buffer = lines.pop(0).lower().split()
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if buffer[0] != "default":
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self.inp.origin = list(map(float,buffer))
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else:
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try:
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os.remove("%s/grid/origin.gz"%self.inp.name)
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except:
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pass
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buffer = lines.pop(0).lower().split()
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if buffer[0] != "default":
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self.inp.opposite = list(map(float,buffer))
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else:
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try:
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os.remove("%s/grid/opposite.gz"%self.inp.name)
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except:
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pass
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buffer = lines.pop(0).lower().split()
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if buffer[0] != "default":
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self.inp.step_size = self.step_size
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else:
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try:
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os.remove("%s/grid/step_size.gz"%self.inp.name)
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except:
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pass
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def edit(x,inp):
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d = { "geometry": GeometryEditor,
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"grid_parameters": GridEditor,
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}
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d[x](inp,x.replace("_"," ")).edit()
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## Write temporary input file
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#############################
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def write_main_file(file,inp):
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print("####################", file=file)
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print("# %s"%(inp.name), file=file)
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print("####################", file=file)
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print("", file=file)
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compute = [x for x in rw_data if x.startswith("compute")]
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print("# Clear", file=file)
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print("# --------------------\n", file=file)
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print('# clear(all)', file=file)
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for p in compute:
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print('# clear(%s)'%(p[8:]), file=file)
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print("", file=file)
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print("# Computation", file=file)
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print("# --------------------\n", file=file)
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print("nproc = %d"%(inp.nproc), file=file)
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print("", file=file)
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for p in compute:
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x = ' '
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exec("if inp.%s: x = 'X'"%(p))
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print("(%s) %s"%(x,p[8:]), file=file)
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print("", file=file)
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print("# Edit", file=file)
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print("# --------------------\n", file=file)
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print('# edit(geometry)', file=file)
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print('# edit(grid_parameters)', file=file)
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print("", file=file)
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## Execute temporary input file
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###############################
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def read_main_file(file,inp):
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lines = file.readlines()
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for line in lines:
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line = line.lstrip()
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if line == "" or line[0] == "#":
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pass
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elif line[0] == "(":
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line = line.replace("( ) ","=False inp.compute_")
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line = line.replace("(X) ","=True inp.compute_")
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line = line.replace("(x) ","=True inp.compute_")
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buffer = line.split()
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line = ' '.join([buffer[1].lower(),buffer[0]])
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elif line.startswith("edit") \
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or line.startswith("clear"):
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line = line.replace("(","('").replace(")","',inp)").lower()
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else:
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line = "inp."+line
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exec(line)
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def edit_temp_file(input_file,write_file,read_file,saved_file=None):
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if saved_file is None:
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file,filename = tempfile.mkstemp()
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file = open(filename,"w")
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write_file(file,input_file)
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file.close()
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os.system("%s %s"%(editor,filename))
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else:
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file = open(saved_file,'r')
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buffer = file.read()
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file.close()
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file,filename = tempfile.mkstemp()
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file = open(filename,"w")
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file.write(buffer)
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file.close()
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file = open(filename,"r")
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read_file(file,input_file)
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file.close()
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os.remove(filename)
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def build_script(inp):
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run_script = "run_"+inp.name
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# try:
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# file = open(run_script,'r')
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# file.close()
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# return
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# except:
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# pass
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file = open(run_script,'w')
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buffer = """
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#!/bin/bash
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source ${HOME}/.eplfrc
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$RUNCOMMAND
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""".lstrip()
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command = "${EPLF_PATH}/bin/eplf %s"%(inp.name)
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if inp.has_mpi:
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if inp.nproc <= 0:
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command = "${EPLF_MPIRUN} "+command
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else:
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command = "${EPLF_MPIRUN} -np %d "%(inp.nproc)+command
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buffer = buffer.replace("$RUNCOMMAND",command)
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print(buffer, file=file)
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file.close()
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os.chmod(run_script,0o744)
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def main():
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if len(sys.argv) not in [2,3]:
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print("Syntax : %s <EZFIO_File> [input_file]"%(sys.argv[0]))
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sys.exit(1)
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inp = InputFile(sys.argv[1])
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if len(sys.argv) == 3:
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saved_file = sys.argv[2]
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else:
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saved_file = None
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edit_temp_file(inp,write_main_file,read_main_file,saved_file)
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build_script(inp)
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main()
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