/usr/include/sc/chemistry/molecule/localdef.h is in libsc-dev 2.3.1-16.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 | //
// localdef.h
//
// Copyright (C) 1996 Limit Point Systems, Inc.
//
// Author: Edward Seidl <seidl@janed.com>
// Maintainer: LPS
//
// This file is part of the SC Toolkit.
//
// The SC Toolkit is free software; you can redistribute it and/or modify
// it under the terms of the GNU Library General Public License as published by
// the Free Software Foundation; either version 2, or (at your option)
// any later version.
//
// The SC Toolkit is distributed in the hope that it will be useful,
// but WITHOUT ANY WARRANTY; without even the implied warranty of
// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
// GNU Library General Public License for more details.
//
// You should have received a copy of the GNU Library General Public License
// along with the SC Toolkit; see the file COPYING.LIB. If not, write to
// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
//
// The U.S. Government is granted a limited license as per AL 91-7.
//
// some inline functions for dealing with 3 dimensional vectors
#ifndef _localdef_h
#define _localdef_h
#include <math.h>
namespace sc {
static const double pi=M_PI;
static const double pih=M_PI_2;
static const double tpi=2.0*pi;
static const double bohr = 0.52917706;
// /////////////////////////////////////////////////////////
static inline void
delta(double u[], const double a[], const double b[])
{
u[0]=a[0]-b[0];
u[1]=a[1]-b[1];
u[2]=a[2]-b[2];
}
// /////////////////////////////////////////////////////////
// returns the distance between two points
static inline double
dist(const double a[], const double b[])
{
double x,y,z;
return (sqrt((x=a[0]-b[0])*x + (y=a[1]-b[1])*y + (z=a[2]-b[2])*z));
}
// /////////////////////////////////////////////////////////
// given sin(x) returns cos(x)
static inline double
s2(double x)
{
double tmp = 1.0 - x*x;
if (tmp < 0.0) tmp = 0.0;
return sqrt(tmp);
}
// /////////////////////////////////////////////////////////
// returns the dot product for two vectors
static inline double
scalar(const double a[], const double b[])
{
double x = a[0]*b[0];
double x1 = a[1]*b[1];
x += a[2]*b[2];
return x+x1;
}
// /////////////////////////////////////////////////////////
// given vectors a and b, returns a unit vector directed along the difference
// of the two vectors
static inline void
norm(double u[], const double a[], const double b[])
{
delta(u,a,b);
double x = 1.0/sqrt(scalar(u,u));
u[0] *= x; u[1] *= x; u[2] *= x;
}
// /////////////////////////////////////////////////////////
// given two vectors, returns the normalized cross product of those vectors
static inline void
normal(const double a[], const double b[], double w[])
{
w[0] = a[1]*b[2]-a[2]*b[1];
w[1] = a[2]*b[0]-a[0]*b[2];
w[2] = a[0]*b[1]-a[1]*b[0];
double x = 1.0/sqrt(scalar(w,w));
w[0] *= x; w[1] *= x; w[2] *= x;
}
}
#endif
// Local Variables:
// mode: c++
// c-file-style: "ETS"
// End:
|