Révision b516a1d6 modules/screening.py

b/modules/screening.py
66 66 
    return [conf_list[idx] for idx in selected_ids]
67 67 

  		





  68
  68
  
    

  		





  69
  
  
    
def get_vect_angle(v1: list, v2: list, degrees=False):


  		





  
  69
  
    
def get_vect_angle(v1: list, v2: list, ref=None, degrees=False):


  		





  70
  70
  
    
    """Computes the angle between two vectors.


  		





  71
  71
  
    

  		





  72
  72
  
    
    @param v1: The first vector.


  		





  73
  73
  
    
    @param v2: The second vector.


  		





  
  74
  
    
    @param ref: Orthogonal vector to both v1 and v2,


  		





  
  75
  
    
        along which the sign of the rotation is defined (i.e. positive if


  		





  
  76
  
    
        counterclockwise angle when facing ref)


  		





  74
  77
  
    
    @param degrees: Whether the result should be in radians (True) or in


  		





  75
  78
  
    
        degrees (False).


  		





  76
  79
  
    
    @return: The angle in radians if degrees = False, or in degrees if


  		





  ......




  79
  82
  
    
    v1_u = v1 / np.linalg.norm(v1)


  		





  80
  83
  
    
    v2_u = v2 / np.linalg.norm(v2)


  		





  81
  84
  
    
    angle = np.arccos(np.clip(np.dot(v1_u, v2_u), -1.0, 1.0))


  		





  
  85
  
    
    if ref is not None:


  		





  
  86
  
    
        # Give sign according to ref direction


  		





  
  87
  
    
        angle *= (1 if np.dot(np.cross(v1, v2), ref) >= 0 else -1)


  		





  
  88
  
    

  		





  82
  89
  
    
    return angle if not degrees else angle * 180 / np.pi


  		





  83
  90
  
    

  		





  84
  91
  
    

  		












Formats disponibles :
  Unified diff