spectrumdoc.h

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/*
 * Gnome Chemisty Utils
 * spectrumdoc.h
 *
 * Copyright (C) 2007-2012 Jean Bréfort <jean.brefort@normalesup.org>
 *
 * This program 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.
 *
 * This program 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 this program; if not, write to the Free Software
 * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA  02110-1301
 * USA
 */

#ifndef GCU_SPECTRUM_DOC_H
#define GCU_SPECTRUM_DOC_H

#include <gcu/document.h>
#include <gcu/macros.h>
#include "printable.h"
#include <string>
#include <vector>

namespace gcugtk
{

typedef enum {
        GCU_SPECTRUM_INFRARED,
        GCU_SPECTRUM_RAMAN,
        GCU_SPECTRUM_INFRARED_PEAK_TABLE,
        GCU_SPECTRUM_INFRARED_INTERFEROGRAM,
        GCU_SPECTRUM_INFRARED_TRANSFORMED,
        GCU_SPECTRUM_UV_VISIBLE,
        GCU_SPECTRUM_NMR,
        GCU_SPECTRUM_NMR_FID,
        GCU_SPECTRUM_NMR_PEAK_TABLE,
        GCU_SPECTRUM_NMR_PEAK_ASSIGNMENTS,
        GCU_SPECTRUM_MASS,
        GCU_SPECTRUM_MAX
} SpectrumType;


typedef enum {
        GCU_SPECTRUM_UNIT_CM_1,
        GCU_SPECTRUM_UNIT_TRANSMITTANCE,
        GCU_SPECTRUM_UNIT_ABSORBANCE,
        GCU_SPECTRUM_UNIT_PPM,
        GCU_SPECTRUM_UNIT_NANOMETERS,
        GCU_SPECTRUM_UNIT_MICROMETERS,
        GCU_SPECTRUM_UNIT_SECONDS,
        GCU_SPECTRUM_UNIT_HZ,
        GCU_SPECTRUM_UNIT_M_Z,
        GCU_SPECTRUM_UNIT_REL_ABUNDANCE,
        GCU_SPECTRUM_UNIT_RESPONSE_FACTOR,
        GCU_SPECTRUM_UNIT_MAX
} SpectrumUnitType;

typedef enum {
        GCU_SPECTRUM_TYPE_INDEPENDENT,
        GCU_SPECTRUM_TYPE_DEPENDENT,
        GCU_SPECTRUM_TYPE_PAGE,
        GCU_SPECTRUM_TYPE_MAX
} SpectrumVarType;

typedef enum {
        GCU_SPECTRUM_FORMAT_ASDF,
        GCU_SPECTRUM_FORMAT_AFFN,
        GCU_SPECTRUM_FORMAT_PAC,
        GCU_SPECTRUM_FORMAT_SQZ,
        GCU_SPECTRUM_FORMAT_DIF,
        GCU_SPECTRUM_FORMAT_MAX
} SpectrumFormatType;

class Application;
class SpectrumView;

typedef struct  {
        std::string Name;
        char Symbol;
        SpectrumVarType Type;
        SpectrumUnitType Unit;
        SpectrumFormatType Format;
        unsigned NbValues;
        double First;
        double Last;
        double Min;
        double Max;
        double Factor;
        double *Values;
        GogSeries *Series;
} JdxVar;

class SpectrumDocument: public gcu::Document, public Printable
{
public:
        SpectrumDocument ();
        SpectrumDocument (Application *app, SpectrumView *view = NULL);

        ~SpectrumDocument ();

        void Load (char const *uri, char const *mime_type = NULL);

        void OnXUnitChanged (int i);

        void OnYUnitChanged (int i);

        void OnXAxisInvert (bool inverted);

        void OnShowIntegral ();

        void OnTransformFID (GtkButton *btn);
        bool SetProperty (unsigned property, char const *value);
        bool Loaded () throw (gcu::LoaderError);

private:
        void LoadJcampDx (char const *data);
        void ReadDataLine (char const *data, std::list<double> &l);
        void DoPrint (GtkPrintOperation *print, GtkPrintContext *context, int page) const;
        GtkWindow *GetGtkWindow ();
        void ReadDataTable (std::istream &s, double *x, double *y);
        double (*GetConversionFunction (SpectrumUnitType oldu, SpectrumUnitType newu, double &factor, double &offset)) (double, double, double);

private:
        double *x, *y;
        unsigned npoints;
        double maxx, maxy, minx, miny;
        double firstx, lastx, deltax, firsty;
        double xfactor, yfactor;
        std::vector <JdxVar> variables;
        int X, Xt, Y, R, I, integral, Rt, It, Rp;
        double freq;
        double offset, refpoint;
        GtkWidget *m_XAxisInvertBtn;
        guint m_XAxisInvertSgn;

GCU_PROT_PROP (SpectrumView*, View)
GCU_RO_PROP (bool, Empty)
GCU_RO_PROP (SpectrumType, SpectrumType)
GCU_RO_PROP (SpectrumUnitType, XUnit)
GCU_RO_PROP (SpectrumUnitType, YUnit)
GCU_RO_PROP (bool, IntegralVisible)
};

}

#endif  //      GCU_SPECTRUM_DOC_H