/usr/include/GNUstep/XMLLib/ULMoleculeNode.h is in adun.app 0.81-6.
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 | /*
Project: XMLLib
Copyright (C) 2005 Michael Johnston & Jordi Villa-Freixa
Author: Michael Johnston
Created: 2005-06-09 15:13:59 +0200 by michael johnston
This application 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 2 of the License, or (at your option) any later version.
This application 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 General Public
License along with this library; if not, write to the Free
Software Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111 USA.
*/
#ifndef _ULMOLECULENODE_H_
#define _ULMOLECULENODE_H_
#include <stdbool.h>
#include <Foundation/Foundation.h>
#include "ULMolecularLibraryNode.h"
/**
Keys:
\li \c NumberOfAtoms
*/
@interface ULMoleculeNode : ULMolecularLibraryNode
{
bool isMonomer;
bool monomerCheck;
NSMutableArray* bondedAtomsList;
}
/**
Returns trues if this molecule is a monomer, false otherwise
*/
- (bool) isMonomer;
/**
Returns an array of the library defined atom name for the atoms in the molecule
*/
- (NSArray*) atomNames;
/**
Returns an array of the names defined by the external source \source for the atoms
\param source The source that defined the names
*/
- (NSArray*) atomNamesFromExternalSource: (NSString*) source;
/**
Calls connectivityMatrix: on its child ULConnectivityNode and returns the result
*/
-(AdDataMatrix*) connectivityMatrix;
/**
Calls connectivityMatrixWithOffset: on its child ULConnectivityNode and returns the result
*/
-(AdDataMatrix*) connectivityMatrixWithOffset: (int) offset;
-(NSMutableArray*) bondedAtomsListWithOffset: (int) offset;
-(NSMutableArray*) bondedAtomsList;
/**
The name of the molecule
*/
- (NSString*) moleculeName;
- (int) connectionForDirection: (NSString*) direction;
/**
Returns an array containing the partial charges for the atoms in the molecule
*/
- (NSArray*) partialCharges;
@end
#endif // _ULMOLECULENODE_H_
|