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// BCToolMassCalculator.h
// BioCocoa
//
// Created by Koen van der Drift on Wed Aug 25 2004.
// Copyright (c) 2003-2009 The BioCocoa Project.
// All rights reserved.
//
// Redistribution and use in source and binary forms, with or without
// modification, are permitted provided that the following conditions
// are met:
// 1. Redistributions of source code must retain the above copyright
// notice, this list of conditions and the following disclaimer.
// 2. Redistributions in binary form must reproduce the above copyright
// notice, this list of conditions and the following disclaimer in the
// documentation and/or other materials provided with the distribution.
// 3. The name of the author may not be used to endorse or promote products
// derived from this software without specific prior written permission.
//
// THIS SOFTWARE IS PROVIDED BY THE AUTHOR ``AS IS'' AND ANY EXPRESS OR
// IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES
// OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED.
// IN NO EVENT SHALL THE AUTHOR BE LIABLE FOR ANY DIRECT, INDIRECT,
// INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT
// NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
// (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF
// THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
/*!
@header
@abstract Mass calculation for a sequence.
*/
#import <Foundation/Foundation.h>
#import "BCSequenceTool.h"
#import "BCFoundationDefines.h"
@class BCSymbol, BCSequence;
/*!
@class BCToolMassCalculator
@abstract A wrapper class to calculate the mass of a sequence.
@discussion This class can be used to calculate the mass of a BCSequence.
* To use it simply pass any BCSequence object to the initializer or class method.
* Then call the calculateMass: method. The class will
* return an NSArray containing two numbers, the minimal mass and maximum mass.
* This is needed to account for the possibility of having ambiguous symbols.
* Use the method setMassType:(BCMassType)type to set if the calculated mass should be monoisotopic or average.
* The default value is monoisotopic.
*/
@interface BCToolMassCalculator : BCSequenceTool {
BCMassType massType;
}
+ (BCToolMassCalculator *) massCalculatorWithSequence: (BCSequence *) list;
- (void)setMassType:(BCMassType)type;
- (NSArray *)calculateMass;
- (NSArray *)calculateMassForRange: (NSRange)aRange;
- (float) addWater;
@end
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