1 #ifndef BALL_NMR_SHIFTMODEL1D_H 2 #define BALL_NMR_SHIFTMODEL1D_H 4 #ifndef BALL_NMR_SHIFTMODULE_H 8 #ifndef BALL_NMR_SPECTRUM_H 79 void setFilename(
const String& filename);
85 return parameters_.getFilename();
135 dimension_ = dimension;
169 bool isValid()
const;
242 #endif // BALL_NMR_SHIFTMODEL1D_H const String & getFilename() const
const double getSpacing() const
bool compute_shifts_
Flag for shift computation.
const System * getSystem() const
void setSystem(System *system)
void setOrigin(const double &origin)
std::vector< Peak1D > peaks_
const double & getOrigin() const
void setDimension(const double &dimension)
void setPeaks(std::vector< Peak1D > peaks)
const double & getDimension() const
std::istream & operator>>(std::istream &is, TRegularData1D< ValueType > &grid)
Input operator.
const Parameters & getParameters() const
#define BALL_CREATE(name)
const std::vector< Peak1D > & getPeaks() const