trailing spaces

src/rotation.c

@@ -16,11 +16,11 @@ void sphericToxyz(float *x, float *y, float *z, float x0, float y0, float z0, fl
 }
 
 struct pdb_values* rotate_sophie(struct pdb_values* pdb, struct pdb_values* pdbR, struct pdb_values* newPDB, float R, float theta, float phi, float alpha,float beta,float gamma, struct docking_results* dock_res, int nConf){
-    /* This function rotates the PDB pdb given in argument and sets the new coordinates in newPDB. 
-     * The final center of the repair is the geometric center of the PDB pdbR. 
+    /* This function rotates the PDB pdb given in argument and sets the new coordinates in newPDB.
+     * The final center of the repair is the geometric center of the PDB pdbR.
      * The angles alpha, beta, gamma in arguments correspond to the rotation angles that have to be applied to
-     * each residue. 
-     * In the struct dock_res, we can find the angles alpha0, beta0 and gamma0. 
+     * each residue.
+     * In the struct dock_res, we can find the angles alpha0, beta0 and gamma0.
      * alpha0 corresponds to the final angle alpha of the CA 1 once it's been rotated by dalpha
      * beta0 corresponds to the final angle beta of the CA 1 once it's been rotated by dbeta
      * gamma0 corresponds to the final angle gamma of the CA 5 once it's been rotated by dalpha and then dbeta
@@ -28,7 +28,7 @@ struct pdb_values* rotate_sophie(struct pdb_values* pdb, struct pdb_values* pdbR
      * The rotation matrices used are available at :
      * https://en.wikipedia.org/wiki/Rotation_matrix in "Nested Dimensions"
      */
-    
+
     float xi = 0, yi = 0, zi = 0;
     float x1i = 0, y1i = 0, z1i = 0;
     float x2i = 0, y2i = 0, z2i = 0;
@@ -41,13 +41,13 @@ struct pdb_values* rotate_sophie(struct pdb_values* pdb, struct pdb_values* pdbR
     float c_b=cos(beta),s_b=sin(beta);
     float c_g=cos(gamma),s_g=sin(gamma);
 
-    /* The angles alpha0, beta0, gamma0 corresponds to the angles for the axis 
+    /* The angles alpha0, beta0, gamma0 corresponds to the angles for the axis
      * (origin,CA1 rotated by alpha), (origin, CA1 rotated by beta) and
-     * (origin, CA5 rotated by alpha then beta) respectively 
+     * (origin, CA5 rotated by alpha then beta) respectively
      *
      * We name these axis :
-     *  N : (origin,CA1 rotated by alpha) 
-     *  Z : (origin, CA5 rotated by alpha then beta) 
+     *  N : (origin,CA1 rotated by alpha)
+     *  Z : (origin, CA5 rotated by alpha then beta)
      *
      * The axis N therefore has the coordinates :
      *  xN : c_a0
@@ -62,7 +62,7 @@ struct pdb_values* rotate_sophie(struct pdb_values* pdb, struct pdb_values* pdbR
     float xN = c_a0;
     float yN = s_a0;
     float zN = 0;
-    
+
     /* The coordinates of the unit vector for the axis Z can be computed as such :
      *  xZ : -s_a0 * c_b0
      *  yZ :  c_a0 * c_b0
@@ -77,7 +77,7 @@ struct pdb_values* rotate_sophie(struct pdb_values* pdb, struct pdb_values* pdbR
         newPDB->nbAtom = pdb->nbAtom;
     }
     memcpy(newPDB->residues,pdb->residues,pdb->nbRes*sizeof(struct residue));
-    
+
 
     float newX = pdbR->centerX + R*sin(theta)*cos(phi);
     float newY = pdbR->centerY + R*sin(theta)*sin(phi);
@@ -107,7 +107,7 @@ struct pdb_values* rotate_sophie(struct pdb_values* pdb, struct pdb_values* pdbR
             z3i = (xZ*zZ*(1.0-c_g)-yZ*s_g)*x2i + (yZ*zZ*(1.0-c_g)+xZ*s_g)*y2i + (zZ*zZ+(1.0-zZ*zZ)*c_g) *z2i;
 
 
-            /* Now the residue has been rotated, and we need to translate it 
+            /* Now the residue has been rotated, and we need to translate it
              * to its final destination
              */
             newPDB->residues[i].x[j] = x3i + newX;
@@ -115,7 +115,7 @@ struct pdb_values* rotate_sophie(struct pdb_values* pdb, struct pdb_values* pdbR
             newPDB->residues[i].z[j] = z3i + newZ;
 
             /* We also translate the coordinates of the first and fifth CA, even
-             * though they are not used afterwards. This is for the sake of 
+             * though they are not used afterwards. This is for the sake of
              * having the right values at the right places
              */
             newPDB->xCA1 = (newPDB->xCA1 - pdb->centerX) + newX;
@@ -138,10 +138,10 @@ struct pdb_values* rotate_sophie(struct pdb_values* pdb, struct pdb_values* pdbR
 
 void getAnglesFromCA1andCA5_sophie(struct pdb_values* pdb, float* alpha, float* beta, float* gamma){
     /* In this function, we first need to find the initial angles alpha and beta that correspond
-     * to the angles alpha and beta for the first CA of the protein. 
-     * Then, we need to apply a rotation alpha around the axis Z, then a rotation beta 
+     * to the angles alpha and beta for the first CA of the protein.
+     * Then, we need to apply a rotation alpha around the axis Z, then a rotation beta
      * around the axis X on the fifth atom CA of the protein.
-     * The coordinates of the then rotated atom CA 5 will give us the initial angle gamma 
+     * The coordinates of the then rotated atom CA 5 will give us the initial angle gamma
      */
 
     *alpha = 0;
@@ -165,10 +165,10 @@ void getAnglesFromCA1andCA5_sophie(struct pdb_values* pdb, float* alpha, float*
     x2 = pdb->xCA5 - pdb->centerX;
     y2 = pdb->yCA5 - pdb->centerY;
     z2 = pdb->zCA5 - pdb->centerZ;
-    
+
     // Lenght of the projection on the plane X,Y
     p1 = sqrt(x1*x1+y1*y1);
-    
+
     // Distance between the CA 1 and the geometric center of the ligand
     r1 = sqrt(x1*x1+y1*y1+z1*z1);
 
@@ -182,14 +182,14 @@ void getAnglesFromCA1andCA5_sophie(struct pdb_values* pdb, float* alpha, float*
     s_b = z1/r1;
 
     *(alpha)= acos(c_a);
-    if(s_a<0.0) 
+    if(s_a<0.0)
         *alpha = -(*alpha);
 
     *(beta)= acos(c_b);
-    if(s_b<0.0) 
+    if(s_b<0.0)
         *beta = -(*beta);
 
-    
+
     /* Rotation matrix for alpha */
     x1i = x2*c_a - y2*s_a;
     y1i = y2*c_a + x2*s_a;
@@ -206,7 +206,7 @@ void getAnglesFromCA1andCA5_sophie(struct pdb_values* pdb, float* alpha, float*
     s_g = x2i/p2;
 
     *gamma = acos(c_g);
-    if(s_g<0.0) 
+    if(s_g<0.0)
         *gamma = -(*gamma);
 
 }