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    Sampc

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    laksh688
    This C++ program reads in data from two files, merged_bond.txt and in_coord.txt, and performs calculations on the data. It declares arrays to store integers and doubles read from the files. It opens the input and output files, then reads the data into the arrays. In a for loop, it calculates the Euclidean distance between each atom pair using their x, y, z coordinate values stored in the arrays. It outputs the atom pair index and distance to the out_dist2.txt file.

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    Sampc

    Uploaded by

    laksh688
    35 views2 pages
    This C++ program reads in data from two files, merged_bond.txt and in_coord.txt, and performs calculations on the data. It declares arrays to store integers and doubles read from the files. It opens the input and output files, then reads the data into the arrays. In a for loop, it calculates the Euclidean distance between each atom pair using their x, y, z coordinate values stored in the arrays. It outputs the atom pair index and distance to the out_dist2.txt file.

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    sampc++

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    This C++ program reads in data from two files, merged_bond.txt and in_coord.txt, and performs calculations on the data. It declares arrays to store integers and doubles read from the files. It opens the input and output files, then reads the data into the arrays. In a for loop, it calculates the Euclidean distance between each atom pair using their x, y, z coordinate values stored in the arrays. It outputs the atom pair index and distance to the out_dist2.txt file.

    Copyright:

    Attribution Non-Commercial (BY-NC)
    Download as RTF, PDF, TXT or read online from Scribd
    Flag for inappropriate content
    Download as rtf, pdf, or txt
    35 views2 pages

    Sampc

    Uploaded by

    laksh688
    This C++ program reads in data from two files, merged_bond.txt and in_coord.txt, and performs calculations on the data. It declares arrays to store integers and doubles read from the files. It opens the input and output files, then reads the data into the arrays. In a for loop, it calculates the Euclidean distance between each atom pair using their x, y, z coordinate values stored in the arrays. It outputs the atom pair index and distance to the out_dist2.txt file.

    Copyright:

    Attribution Non-Commercial (BY-NC)
    Download as RTF, PDF, TXT or read online from Scribd
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    Download as rtf, pdf, or txt
    of 2

    #include<iostream>

    #include<fstream>
    #include<cmath>
    #include <cstdlib>
    #include<ctime>
    using namespace std;
    int main()
    {
    int a[11820],b[11820];
    double x[11630];
    double y[11630];
    double z[11630];
    int dup1,dup2;
    double dist;
    ifstream
    ifstream
    ofstream
    ofstream

    in1;
    in2;
    out1;
    out2;

    in1.open("merged_bond.txt");
    in2.open("in_coord.txt");
    out1.open("out_bond.txt");
    out2.open("out_dist2.txt");
    if(!in1)
    cout<<"File opening error\n";
    else
    cout<<"Reading the file \n";
    for(int k=1;k<=11811;k++)
    {
    in1>>a[k];
    in1>>b[k];
    out1<<a[k]<<"\t"<<b[k]<<"\n";
    }
    if(!in2)
    cout<<"File opening error\n";
    else
    cout<<"Reading the file \n";
    for(int i=1;i<=11619;i++)
    {
    in2>>x[i];
    in2>>y[i];
    in2>>z[i];
    //out<<x[k][j][i]<<"\t"<<y[k][j][i]<<"\t"<<z[k][j]
    [i]<<"\n";
    }
    for(int h=1;h<=11811;h++)
    {
    cout<<h<<"\n";
    dup1=a[h];
    dup2=b[h];
    dist=sqrt((x[dup1]-x[dup2])*(x[dup1]-x[dup2])+(y[dup1]y[dup2])*(y[dup1]-y[dup2])+(z[dup1]-z[dup2])*(z[dup1]-z[dup2]));

    }
    }

    out2<<h<<"\t"<<dist<<"\n";

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