Project 1 - Parsing NASA thermodynamic data

Explaining the code

Function - 'NASAcalculator' is made for the data extraction

• Input - File name - 'THERMO.dat'
• Processes
  • Skipping through the firs 5 header lines
  • Setting up a species counter
  • Running a while loop until find 'END'
    • updating the species counter
    • Reading the Species first line to extract
      • Species name
      • Splitting the line using strsplit(string,' ')
      • Finding the position of the very first letter if the species in the rest of the header from there deducing the string before G
      • splitting this sub string by spaces and extracting number of atoms in a particular species
      • then calculating the total molecular weight from a switch case list which contains atomic weight of individual atoms.
      • Extracting low, mid and high global temperature from the rest of the string. Using strsplit(string,' ')
    • Running a for loop 3 times to traverse through the nexr 3 lines of thar species which contains co-efficients for calculating CP, H & S
      • Reading the line then splitting it using [ strfind(currentLine,"E") ]
      • Running a nested loop to gothrough each split and converting that into num.
        • Using this - str2num(currentLine(E_pos(k1-1)+4:E_pos(k1)+3)
      • Collecting all the co-efficients
    • Doing the calculation part of polynomials from low temperature range to high temperature range
      • For this a funtion is created
        • Inputs
          • Co-efficients for the species 'a'
          • high/low temperature factor 'f' ["a(n+7*f)" so for calculatins in low temperature f = 1 else 0 for high temperature (n is 1,2,3,...)]
          • Temperature range (either high or low)
        • Calculation according to the given equations
        • Output
          • CP Specific Heat
          • H Enthalpy
          • S Entropy
    • Using the above mentioned function CP, H & S are calculated for low temperature range (low_temp:mid_temp, f=1) and high temperature range (mid_temp:6000, f=0) to create unanimus data points for the plot throught all species.
    • Concatenating both low temp. and high temp. ranges.

• Output
  • speciesName
  • species Molecular Weight
  • low temperature
  • high temperature
  • mid temperature
  • co-efficient
  • CP Specific Heat
  • H Enthalpy
  • S Entropy

Main Program

• Calling NASAcalculator function passing in the data file name to get
  • speciesName
  • species Molecular Weight
  • low temperature
  • high temperature
  • mid temperature
  • co-efficient
  • CP Specific Heat
  • H Enthalpy
  • S Entropy
• for all species
• Creating a folder using mkdir [make directory] to create folder "NASA data Interpreted(Nishant Jain)" in which information of all species is stored
• Running a for loop for all the species
• Printing the Spcie's name and moleculer w.t. on the command window
• Creating the file location and directory using mkdir
• Creating a text file and writing following information in it
  • speciesName
  • species Molecular Weight
  • low temperature
  • high temperature
  • mid temperature
  • co-efficient
• Storing it and saving it
• plotting following graphs
  • CP Specific Heat
  • H Enthalpy
  • S Entropy
• turining them into .jpg and saving them