field.py

"""! Module for parsing field files. """
 
 
class Field:
 
   
   def __init__(self, filename):
      self.data = []
      self.header = {}
      self.type = ''
      with open(filename) as f:
         self.read(f)
 
   
   def read(self, openFile):
      line = openFile.readline()
      l = line.split()
      if l[0] == 'format':
         self.header['format'] = [getValue(l[1]), getValue(l[2])]
      elif l[0] == 'nx':
         self.type ='fd1d'
         self.header['nx'] = getValue(l[1])
      else:
         raise Exception('Not valid field file.')
 
      if self.type != 'fd1d':
         lineCount = 1
         while lineCount <= 15:
            line = openFile.readline()
            l = line.split()
            lineCount += 1
            if lineCount%2 == 0:
               name = l[0]
               if name == 'N_basis' or name == "N_star":
                  self.type = 'basis'
            else:
               if name == 'mesh' or name == 'ngrid' or name == 'cell_param':
                  d = []
                  for i in range(0, len(l)):
                     d.append(getValue(l[i]))
                  self.header[name] = d
               else:
                  self.header[name] = getValue(l[0])
      else:
            line = openFile.readline()
            l = line.split()
            self.header[l[0]] = getValue(l[1])
            line = openFile.readline()
            l = line.split()
 
      while line != '':
         d = []
         for i in range(0, len(l)):
            d.append(getValue(l[i]))
         self.data.append(d)
         line = openFile.readline()
         l = line.split()
         
 
      if self.type != 'basis' and self.type != 'fd1d':
         if type(self.data[0][0]) is int:
            self.type = 'kgrid'
         else:
            self.type = 'rgrid'
 
   
   def __str__(self):
      out = ''
      for x, y in self.header.items():
         if self.type == 'fd1d':
            o = f'{x:<7}' + str(y) + '\n'
         else:
            if x == 'format':
               o = x + '   ' + str(y[0]) + '   ' + str(y[1]) + '\n'
            else:
               o = x + '\n'
               if x == 'cell_param':
                  val = f'{y[0]:.10e}'
                  o += f'{val:>20}'
                  if len(y) == 1:
                     o += '\n'
                  for i in range(1, len(y)):
                     val = f'{y[i]:.10e}'
                     o += f'{val:>18}'
                     if i == len(y)-1:
                        o += '\n'
               elif x == 'mesh' or x == 'ngrid':
                  o += f'{y[0]:>20}'
                  if len(y) == 1:
                     o += '\n'
                  for i in range(1, len(y)):
                     o += f'{y[i]:>8}'
                     if i == len(y)-1:
                        o += '\n'
               else:
                  o += f'{str(y):>20s}' + '\n'
 
         out += o
 
      for i in range(0, len(self.data)):
         row = ''
         for j in range(0, len(self.data[0])):
            if self.type == 'fd1d':
               if j == 0:
                  row += f'{self.data[i][j]:>6}'
               else:
                  val = f'{self.data[i][j]:.11e}'
                  row += f'{val:>20}'
 
            if self.type == 'basis':
               if j < self.header['N_monomer']:
                  val = f'{self.data[i][j]:.10e}'
                  row += f'{val:>20}'
               else:
                  if j == self.header['N_monomer']:
                     row += '   '
                  row += f'{self.data[i][j]:>5}'
 
            if self.type == 'rgrid':
               val = f'{self.data[i][j]:.15e}'
               row += f'{val:>23}'
 
            if self.type == 'kgrid':
               if j == 0:
                  row += f'{self.data[i][j]:>6}'
               else:
                  val = f'{self.data[i][j]:.12e}'
                  if j%2 != 0:
                     row += f'{val:>22}'
                  else:
                     row += f'{val:>20}'
 
         out += row + '\n'
 
      return out
 
   
   def write(self, filename):
      with open(filename, 'w') as f:
         f.write(self.__str__())
 
   
   def addColumn(self, index, element):
      if isinstance(element, list):
         if not (len(element) == len(self.data)):
             raise Exception('Incorrect dimension for parameter element')
         for i in range(0, len(self.data)):
            self.data[i].insert(index, element[i])
      else:
         for i in range(0, len(self.data)):
            self.data[i].insert(index, element)
 
   
   def deleteColumn(self, index):
      for i in range(0, len(self.data)):
         self.data[i].pop(index)
 
   
   def reorder(self, order):
      nc = len(order)
      newData = []
      for i in range(0, len(self.data)):
         if not (nc == len(self.data[i])):
            raise Exception('Incorrect length for permutation order')
         d = []
         for j in range(0,len(order)):
            d.append(self.data[i][order[j]])
         newData.append(d)
      self.data = newData
 
 
def getValue(v):
   if (v.isdigit() == True) or (v[0] == '-' and v[1:].isdigit() == True):
      val = int(v)  
   else:
      try:
         val = float(v)
      except ValueError:
         val = str(v)
   
   return val