1#ifndef BALL_NMR_SHIFTMODEL1D_H
2#define BALL_NMR_SHIFTMODEL1D_H
4#ifndef BALL_NMR_SHIFTMODULE_H
8#ifndef BALL_NMR_SPECTRUM_H
85 return parameters_.getFilename();
135 dimension_ = dimension;
#define BALL_CREATE(name)
std::istream & operator>>(std::istream &is, TRegularData1D< ValueType > &grid)
Input operator.
const System * getSystem() const
void setSystem(System *system)
std::vector< Peak1D > peaks_
ShiftModel1D(const String &filename, SPECTRUM_TYPE st, bool compute_shifts=true)
void setDimension(const double &dimension)
void setOrigin(const double &origin)
const double getSpacing() const
const double & getDimension() const
void setPeaks(std::vector< Peak1D > peaks)
ShiftModel1D(const String &filename, SPECTRUM_TYPE st, double origin, double dimension, double spacing, bool compute_shifts=true)
void setFilename(const String &filename)
const double & getOrigin() const
bool compute_shifts_
Flag for shift computation.
bool hasType_(Atom *a, SPECTRUM_TYPE type)
const String & getFilename() const
ShiftModel1D(const ShiftModel1D &model)
const Parameters & getParameters() const
const std::vector< Peak1D > & getPeaks() const