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Viewing changes to src/sdfmap.h

Committer: Package Import Robot
Author(s): Daniel Leidert, Daniel Leidert, Michael Banck
Date: 2014-09-22 10:00:17 UTC
mfrom: (1.1.9)
Revision ID: package-import@ubuntu.com-20140922100017-voentkpft033vxa6

Tags: 140902-1

* New upstream release.

[ Daniel Leidert ]
* debian/copyright: Updated.
* debian/upstream: Renamed to debian/upstream/metadata.

[ Michael Banck ]
* debian/travis.1: Add LAMMPS and DLPOLY to trajectory filetypes and
document -stream option.
* debian/control (Description): List supported fileteypes and
available analysis features.

files added:
debian/upstream/metadata

src/chiral.cpp

src/chiral.h

src/ir.cpp

src/ir.h

src/linalg.cpp

src/linalg.h

src/normalcoordinate.cpp

src/normalcoordinate.h

src/qr_fact.cpp

src/qr_fact.h

src/sdfmap.cpp

src/sdfmap.h

src/xdvectorn.cpp

src/xdvectorn.h

files removed:
src/cluster.cpp

src/cluster.h

src/fesa.cpp

src/fesa.h

src/ffgen.cpp

src/ffgen.h

src/ffparm.cpp

src/ltspec.cpp

src/ltspec.h

src/microhet.cpp

src/microhet.h

src/react.cpp

src/react.h

src/resp.cpp

src/resp.h

src/sdengine.cpp

src/sdengine.h

src/structurefactor.cpp

src/structurefactor.h

src/thermo.cpp

src/thermo.h

src/v_base.cpp

src/v_base.h

src/v_base_wl.cpp

src/v_c_loops.h

src/v_cell.cpp

src/v_cell.h

src/v_common.cpp

src/v_common.h

src/v_compute.cpp

src/v_compute.h

src/v_config.h

src/v_container.cpp

src/v_container.h

src/v_container_prd.cpp

src/v_container_prd.h

src/v_pre_container.cpp

src/v_pre_container.h

src/v_rad_option.h

src/v_unitcell.cpp

src/v_unitcell.h

src/v_wall.cpp

src/v_wall.h

src/v_worklist.h

src/voro++.h

src/voroanalysis.cpp

src/voroanalysis.h

src/vorowrapper.cpp

src/vorowrapper.h

files modified:
Makefile

debian/changelog

debian/control

debian/copyright

debian/travis.1

debian/upstream

src/2df.cpp

src/2df.h

src/3df.cpp

src/3df.h

src/acf.cpp

src/config.h

src/dacf.cpp

src/df.cpp

src/df.h

src/elementdata.cpp

src/gather.cpp

src/globalvar.cpp

src/globalvar.h

src/interface.cpp

src/interface.h

src/lmmin.cpp

src/maintools.cpp

src/maintools.h

src/moltools.cpp

src/moltools.h

src/plproj.cpp

src/plproj.h

src/raman.cpp

src/raman.h

src/reordyn.cpp

src/timestep.cpp

src/timestep.h

src/tools.cpp

src/tools.h

src/travis.cpp

src/travis.h

src/xdf.cpp

src/xdf.h

src/xdvector3.cpp

src/xmatrix3.cpp

src/xmatrix3.h

src/xobarray.cpp

src/xobarray.h

src/xvector3.h

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/*****************************************************************************

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TRAVIS - Trajectory Analyzer and Visualizer

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http://www.travis-analyzer.de/

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Copyright (c) 2009-2014 Martin Brehm

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2012-2014 Martin Thomas

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This file written by Martin Brehm.

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This program is free software: you can redistribute it and/or modify

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it under the terms of the GNU General Public License as published by

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the Free Software Foundation, either version 3 of the License, or

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(at your option) any later version.

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This program is distributed in the hope that it will be useful,

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but WITHOUT ANY WARRANTY; without even the implied warranty of

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MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the

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GNU General Public License for more details.

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You should have received a copy of the GNU General Public License

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along with this program. If not, see <http://www.gnu.org/licenses/>.

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*****************************************************************************/

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#ifndef SDFMAP_H

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#define SDFMAP_H

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#include "xobject.h"

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#include "xobarray.h"

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#include "3df.h"

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#include "timestep.h"

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class CSDFMap : public CxObject

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{

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public:

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CSDFMap();

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~CSDFMap();

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void Parse();

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void Create();

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void Process(int rm, CTimeStep *ts);

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void BuildName();

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void Finish();

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int m_iQuantity;

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bool m_bModeMin;

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bool m_bModeMax;

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bool m_bModeAvg;

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CxObArray m_oaAtomGroups;

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int m_iResolution;

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float m_fRadius;

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bool m_bSphere;

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int m_iSphereRadius;

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C3DF *m_pValueMin;

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C3DF *m_pValueMax;

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C3DF *m_pValueAvg;

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C3DF *m_pCount;

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char *m_sName;

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char *m_sSubName;

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inline void AddValue(double x, double y, double z, double v)

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{

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if (m_bModeAvg)

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m_pValueAvg->AddToBin_Single(x,y,z,v);

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if (m_bModeMax)

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if (v > m_pValueMax->GetBinValue_Single(x,y,z))

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m_pValueMax->SetBinValue_Single(x,y,z,v);

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if (m_bModeMin)

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{

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if ((m_pCount->GetBinValue_Single(x,y,z) == 0) || (v < m_pValueMin->GetBinValue_Single(x,y,z)))

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m_pValueMin->SetBinValue_Single(x,y,z,v);

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}

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m_pCount->AddToBin_Single(x,y,z,1.0);

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}

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};

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#endif

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