Difference between revisions of "KrakenTools examples"

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(Created page with "== Creating Serpent water compositions == Water composition material cards for Serpent can be generated using the krakentools.writeWaterComposition() method: >>> help(krake...")
 
(→‎Creating Serpent water compositions)
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Water composition material cards for Serpent can be generated using the krakentools.writeWaterComposition() method:
 
Water composition material cards for Serpent can be generated using the krakentools.writeWaterComposition() method:
  
 +
<div class="toccolours mw-collapsible mw-expanded" style="width:60em;">
 +
'''docstring for the krakentools.writeWaterComposition method'''
 +
<div class="mw-collapsible-content">
 +
>>> import krakentools
 
  >>> help(krakentools.writeWaterComposition)
 
  >>> help(krakentools.writeWaterComposition)
 
   
 
   
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     Raises:
 
     Raises:
 
         RuntimeError: If the target temperature is not bracketed by the thermal scattering libraries.
 
         RuntimeError: If the target temperature is not bracketed by the thermal scattering libraries.
 +
</div>
 +
</div>
  
 
By default, the function writes the material card to a file <tt>./watercomp.txt</tt> but a pre-opened file handle can be passed as <tt>fout</tt> keyword argument also. For example:
 
By default, the function writes the material card to a file <tt>./watercomp.txt</tt> but a pre-opened file handle can be passed as <tt>fout</tt> keyword argument also. For example:
  
 +
<div class="toccolours mw-collapsible mw-expanded" style="width:60em;">
 +
'''test1.py'''
 +
<div class="mw-collapsible-content">
 
  #!/usr/bin/env python3
 
  #!/usr/bin/env python3
 
  # -*- coding: utf-8 -*-
 
  # -*- coding: utf-8 -*-
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  # --- Open a file into which the composition will be written
 
  # --- Open a file into which the composition will be written
 
   
 
   
−
  fout = open("./watercomp.txt","w")
+
  fout = open("./some_name.txt","w")
 
   
 
   
 
  # --- Water density in g/cm3 (does not include boron)
 
  # --- Water density in g/cm3 (does not include boron)
Line 56: Line 65:
 
   
 
   
 
  fout.close()
 
  fout.close()
 +
</div></div>
  
 
will produce the following file:
 
will produce the following file:
  
 +
<div class="toccolours mw-collapsible mw-expanded" style="width:60em;">
 +
'''some_name.txt'''
 +
<div class="mw-collapsible-content">
 
  mat cool_1000B_100D -1.00100 tmp 550
 
  mat cool_1000B_100D -1.00100 tmp 550
 
                             moder lw550K 1001
 
                             moder lw550K 1001
Line 69: Line 82:
 
  B-10.03c  1.105860e-04
 
  B-10.03c  1.105860e-04
 
  B-11.03c  4.451225e-04
 
  B-11.03c  4.451225e-04
−
 
+
</div></div>
 
The tmp and moder cards are automatically written based on the requested temperature, but as we provided no thermal scattering libraries, the therm card is not written. We could add a list of thermal scattering library identifiers and their corresponding temperatures, which would also append the correct therm card for the identifier specified in the moder card:
 
The tmp and moder cards are automatically written based on the requested temperature, but as we provided no thermal scattering libraries, the therm card is not written. We could add a list of thermal scattering library identifiers and their corresponding temperatures, which would also append the correct therm card for the identifier specified in the moder card:
  
−
 
+
<div class="toccolours mw-collapsible mw-expanded" style="width:60em;">
 +
'''test2.py'''
 +
<div class="mw-collapsible-content">
 
  #!/usr/bin/env python3
 
  #!/usr/bin/env python3
 
  # -*- coding: utf-8 -*-
 
  # -*- coding: utf-8 -*-
Line 93: Line 108:
 
  # --- Open a file into which the composition will be written
 
  # --- Open a file into which the composition will be written
 
   
 
   
−
  fout = open("./watercomp.txt","w")
+
  fout = open("./some_other_name.txt","w")
 
   
 
   
 
  # --- Water density in g/cm3 (does not include boron)
 
  # --- Water density in g/cm3 (does not include boron)
Line 114: Line 129:
 
   
 
   
 
  fout.close()
 
  fout.close()
 +
</div></div>
  
 
would produce the file
 
would produce the file
  
 +
<div class="toccolours mw-collapsible mw-expanded" style="width:60em;">
 +
'''some_other_name.txt'''
 +
<div class="mw-collapsible-content">
 
  mat cool_1000B_100D -1.00100 tmp 550
 
  mat cool_1000B_100D -1.00100 tmp 550
 
                             moder lw550K 1001
 
                             moder lw550K 1001
Line 129: Line 148:
 
   
 
   
 
  therm lw550K lwe7.10t
 
  therm lw550K lwe7.10t
 +
</div></div>
  
 
This works even if the material temperature is between two library temperatures, in which case the therm card will use interpolation.
 
This works even if the material temperature is between two library temperatures, in which case the therm card will use interpolation.

Revision as of 15:38, 10 July 2019

Creating Serpent water compositions

Water composition material cards for Serpent can be generated using the krakentools.writeWaterComposition() method:

docstring for the krakentools.writeWaterComposition method 

>>> import krakentools
>>> help(krakentools.writeWaterComposition)

writeWaterComposition(fresh_water_mass_density, boron_in_ppm_weight, temperature, fout=None, fname='./watercomp.txt', thermlibs=None)
   Writes water material card and optionally the therm-card for Serpent into a file
   for a specific state point (fresh water density + boron ppm)
   
   Arguments:
       fresh_water_mass_density {float} -- target mass density of non-borated water (positive number, g/cm3)
       boron_in_ppm_weight {float} -- boron concentration in ppm weight
       temperature {float} -- water temperature in Kelvin
   
   Keyword Arguments:
       fout {file handle} -- Handle to a pre-opened file into which the water
                             composition will be written (default: {None})
       fname {str} -- Optional name of file into which the water composition
                      will be written (default: {"./watercomp.txt"})
       thermlibs {[N*[str, float]]} -- A list of (thermal scattering library
                                       identifier)-(temperature) pairs
                                       (default: {None})
   
   Raises:
       RuntimeError: If the target temperature is not bracketed by the thermal scattering libraries.

By default, the function writes the material card to a file ./watercomp.txt but a pre-opened file handle can be passed as fout keyword argument also. For example:

test1.py 

#!/usr/bin/env python3
# -*- coding: utf-8 -*-

import krakentools

# --- Open a file into which the composition will be written

fout = open("./some_name.txt","w")

# --- Water density in g/cm3 (does not include boron)

density = 1.0

# --- Boron content in ppm (weight)

boron = 1000

# --- Water temperature in Kelvin (used for tmp card and naming of therm-card)

temperature = 550

# --- Call the method to write the corresponding composition to the file

krakentools.writeWaterComposition(density, boron, temperature, fout=fout)

# --- Close the file

fout.close()

will produce the following file:

some_name.txt 

mat cool_1000B_100D -1.00100 tmp 550
                            moder lw550K 1001
                            rgb 200 200 255
O-16.03c   3.323385e-01
O-17.03c   1.265963e-04
80170      6.829536e-04
H-1.03c    6.662196e-01
H-2.03c    7.662406e-05
B-10.03c   1.105860e-04
B-11.03c   4.451225e-04

The tmp and moder cards are automatically written based on the requested temperature, but as we provided no thermal scattering libraries, the therm card is not written. We could add a list of thermal scattering library identifiers and their corresponding temperatures, which would also append the correct therm card for the identifier specified in the moder card:

test2.py 

#!/usr/bin/env python3
# -*- coding: utf-8 -*-

import krakentools

# --- Set of thermal scattering libraries to use
#     [identifier, temperature (K)]

myThermlibs = [["lwe7.00t", 294],
               ["lwe7.02t", 350],
               ["lwe7.04t", 400],
               ["lwe7.06t", 450],
               ["lwe7.08t", 500],
               ["lwe7.10t", 550],
               ["lwe7.12t", 600],
               ["lwe7.14t", 650],
               ["lwe7.18t", 800]]

# --- Open a file into which the composition will be written

fout = open("./some_other_name.txt","w")

# --- Water density in g/cm3 (does not include boron)

density = 1.0

# --- Boron content in ppm (weight)

boron = 1000

# --- Water temperature in Kelvin (used for tmp card and naming of therm-card)

temperature = 550

# --- Call the method to write the corresponding composition to the file

krakentools.writeWaterComposition(density, boron, temperature, fout=fout, thermlibs=myThermLibs)

# --- Close the file

fout.close()

would produce the file

some_other_name.txt 

mat cool_1000B_100D -1.00100 tmp 550
                            moder lw550K 1001
                            rgb 200 200 255
O-16.03c   3.323385e-01
O-17.03c   1.265963e-04
80180      6.829536e-04
H-1.03c    6.662196e-01
H-2.03c    7.662406e-05
B-10.03c   1.105860e-04
B-11.03c   4.451225e-04

therm lw550K lwe7.10t

This works even if the material temperature is between two library temperatures, in which case the therm card will use interpolation.

Retrieved from "https://serpent.vtt.fi/kraken/index.php?title=KrakenTools_examples&oldid=727"