https://github.com/michal-brylinski/efindsite
Revision 72f012435573ecfab2dc5c5478bf16ec459f5937 authored by Michal Brylinski on 25 October 2018, 17:56:05 UTC, committed by GitHub on 25 October 2018, 17:56:05 UTC
1 parent 92852e9
Tip revision: 72f012435573ecfab2dc5c5478bf16ec459f5937 authored by Michal Brylinski on 25 October 2018, 17:56:05 UTC
Update 13gsA.profile
Update 13gsA.profile
Tip revision: 72f0124
coords.C
/*
===============================================================================
___________.__ .____________.__ __
____\_ _____/|__| ____ __| _/ _____/|__|/ |_ ____
_/ __ \| __) | |/ \ / __ |\_____ \ | \ __\/ __ \
\ ___/| \ | | | \/ /_/ |/ \| || | \ ___/
\___ >___ / |__|___| /\____ /_______ /|__||__| \___ >
\/ \/ \/ \/ \/ \/
eFindSite - ligand-binding site prediction from meta-threading
Computational Systems Biology Group
Department of Biological Sciences
Center for Computation & Technology
Louisiana State University
407 Choppin Hall, Baton Rouge, LA 70803, USA
http://www.brylinski.org
Report bugs to michal@brylinski.org
Copyright 2013 Michal Brylinski
This file is part of eFindSite.
eFindSite is free software: you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.
eFindSite 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 General Public License for more details.
You should have received a copy of the GNU General Public License
along with eFindSite. If not, see <http://www.gnu.org/licenses/>.
===============================================================================
*/
#include "coords.h"
using namespace std;
// ================================================================================== CoordsProtein
CoordsProtein::CoordsProtein( int an, int ar, double ax, double ay, double az, string at, string aa )
{
n = an;
r = ar;
x = ax;
y = ay;
z = az;
t = at;
a = aa;
}
CoordsProtein::CoordsProtein( void )
{
n = 0;
r = 0;
x = 0.0;
y = 0.0;
z = 0.0;
t = "";
a = "";
}
CoordsProtein::~CoordsProtein() {}
int CoordsProtein::getAtomNumber( void )
{
return n;
}
int CoordsProtein::getResidueNumber( void )
{
return r;
}
double CoordsProtein::getCoords( int an )
{
switch (an)
{
case 1 : return x;
case 2 : return y;
case 3 : return z;
default : return 0;
}
}
void CoordsProtein::setCoords( double ax, double ay, double az)
{
x = ax;
y = ay;
z = az;
}
string CoordsProtein::getResidueName( void )
{
return t;
}
string CoordsProtein::getAtomName( void )
{
return a;
}
// ================================================================================== CoordsLigand
CoordsLigand::CoordsLigand( int an, double ax, double ay, double az, string aa )
{
n = an;
x = ax;
y = ay;
z = az;
a = aa;
}
CoordsLigand::CoordsLigand( void )
{
n = 0;
x = 0.0;
y = 0.0;
z = 0.0;
a = "";
}
CoordsLigand::~CoordsLigand() {}
int CoordsLigand::getAtomNumber( void )
{
return n;
}
double CoordsLigand::getCoords( int an )
{
switch (an)
{
case 1 : return x;
case 2 : return y;
case 3 : return z;
default : return 0;
}
}
void CoordsLigand::setCoords( double ax, double ay, double az)
{
x = ax;
y = ay;
z = az;
}
string CoordsLigand::getAtomName( void )
{
return a;
}
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