c - 从文本文件中读取并将这些值放入 7 x 7 矩阵中

Question

大家好，我有点不知道该怎么做。我知道我想要的伪代码是什么，但实际编写起来有些困难。

我有 2 个数组，每个数组包含 7 个数字。在第一个数组中，数字是

 Angstroms      [0.4000, 0.5000, 0.6000, 0.7000, 0.8000, 0.9000, 1.0000]
 Energy         [-0.9767, -1.1000, -1.1535, -1.1710, -1.1704, -1.1604, -1.145]

  Input File
  0.400000000000000  -0.976798125297645
  0.500000000000000  -1.10086977056789
  0.600000000000000  -1.153517976992553
  0.700000000000000  -1.171014611491842
  0.800000000000000  -1.170406254407191
  0.900000000000000  -1.160412786280990
  1.000000000000000  -1.145758813825982

现在我想用六阶多项式拟合它们，这样我就可以用这些数据做更多的事情，这就是我遇到的问题。我在这个阶段的输出是这样的

 A = Angstroms
 [1     1      1      1      1      1      1
-0.4  -0.5   -0.6   -0.7   -0.8   -0.9   -1.0
 A^2   A^2    A^2    A^2    A^2    A^2    A^2  So the above value squared
 A^3   A^3    A^3    A^3    A^3    A^3    A^3   and so on
 A^4   A^4    A^4    A^4    A^4    A^4    A^4
 A^5   A^5    A^5    A^5    A^5    A^5    A^5
 A^6   A^6    A^6    A^6    A^6    A^6    A^6]

我如何提取列表，然后将其添加到此矩阵，然后以一种简短高效的方式将每一行都像 a^2、a^3 等等。

我有一个想法，就是输入每个值，例如

A(0,0) = 1 ; A(0,1) = -0.4 等等，但这会非常乏味。

到目前为止我的代码

#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#define ELEMENTS 6
#define n 7

// First read the data from the file 
// Fit the data to a sixth order polynomial 
// Fit the data to sixth order polynomial in terms of exp(-r) 
// Plot the fitted functions and the data points to a set between 0.2 and 5 A

void * file_input ();
void * polynomial ();
int main () {

 file_input();
 return 0;

}

void * file_input () {

   static double Angstroms[ELEMENTS];
   static double Energy[ELEMENTS];

   float a, b;
   int i;

   FILE * in_file = fopen("H2Data.txt", "r");
   for (i = 0; i <= ELEMENTS; i++) {
        fscanf(in_file,"%f %f\n", &a, &b);
        Angstroms[i] = a;
        Energy[i] = b;
//          printf ("Angstroms[%f], Energy[%f]\n", Angstroms[i], Energy[i]);
   }
   return in_file, Angstroms, Energy;
   fclose(in_file);

}

// Sextic equation ax^6 + bx^5 + cx^4 + dx^3 + ex^2 +fx + g = 0

void * polynomial(Angstroms, Energy) {

  int i, j;
  double * ax = malloc (n * n * sizeof(double)); // 7 by 7 matrix
  double * b = malloc (n * sizeof(double));      // 0 by 1 matrix for the      b values
}

Answer 1

你可以试试下面的代码

#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#define ELEMENTS 7
#define N 7

double Angstroms[ELEMENTS];
double Energy[ELEMENTS];
double ax[ELEMENTS][N];

void file_input();
void polynomial();

int main () {
 file_input();
 polynomial();
 return 0;
}

void file_input () {
   float a, b;
   int i;
   FILE * in_file = fopen("H2Data.txt", "r");
   for (i = 0; i < ELEMENTS; i++) {
        fscanf(in_file,"%f %f\n", &a, &b);
        Angstroms[i] = a;
        Energy[i] = b;
   }
   fclose(in_file);   
}

void polynomial() {
  int i,j;
  for( i=0; i < ELEMENTS; i++)
  {
    ax[i][0] = 1;
    ax[i][1] = Angstroms[i];
  }
  for( i=2; i < N; i++)
    for (j=0; j < ELEMENTS; j++)
    {
      ax[j][i] = ax[j][i-1]*ax[i][1];
    }
}