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fix: nine strcpy calls in initializeitems in InitializeItems.c #5

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fix: nine strcpy calls in initializeitems in InitializeItems.c #5

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40 changes: 20 additions & 20 deletions msi2lmp/src/InitializeItems.c
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Original file line number Diff line number Diff line change
Expand Up @@ -12,128 +12,128 @@
void InitializeItems(void)
{
/* ATOM TYPES */
strcpy(ff_atomtypes.keyword,"#atom_types");
strcpy_s(ff_atomtypes.keyword,sizeof(ff_atomtypes.keyword),"#atom_types");
ff_atomtypes.number_of_members = 1;
ff_atomtypes.number_of_parameters = 1;

/* EQUIVALENCE */

strcpy(equivalence.keyword,"#equivalence");
strcpy_s(equivalence.keyword,sizeof(equivalence.keyword),"#equivalence");
equivalence.number_of_members = 6;
equivalence.number_of_parameters = 0;

/* NON-BOND */

strcpy(ff_vdw.keyword,"#nonbond");
strcpy_s(ff_vdw.keyword,sizeof(ff_vdw.keyword),"#nonbond");
ff_vdw.number_of_members = 1;
ff_vdw.number_of_parameters = 2;

/* BOND */

ff_bond.number_of_members = 2;
if (forcefield & (FF_TYPE_CLASS1|FF_TYPE_OPLSAA)) {
strcpy(ff_bond.keyword,"#quadratic_bond");
strcpy_s(ff_bond.keyword,sizeof(ff_bond.keyword),"#quadratic_bond");
ff_bond.number_of_parameters = 2;
}

if (forcefield & FF_TYPE_CLASS2) {
strcpy(ff_bond.keyword,"#quartic_bond");
strcpy_s(ff_bond.keyword,sizeof(ff_bond.keyword),"#quartic_bond");
ff_bond.number_of_parameters = 4;
}

/* MORSE */

if (forcefield & FF_TYPE_CLASS1) {
ff_morse.number_of_members = 2;
strcpy(ff_morse.keyword,"#morse_bond");
strcpy_s(ff_morse.keyword,sizeof(ff_morse.keyword),"#morse_bond");
ff_morse.number_of_parameters = 3;
}

/* ANGLE */

ff_ang.number_of_members = 3;
if (forcefield & (FF_TYPE_CLASS1|FF_TYPE_OPLSAA)) {
strcpy(ff_ang.keyword,"#quadratic_angle");
strcpy_s(ff_ang.keyword,sizeof(ff_ang.keyword),"#quadratic_angle");
ff_ang.number_of_parameters = 2;
}

if (forcefield & FF_TYPE_CLASS2) {
strcpy(ff_ang.keyword,"#quartic_angle");
strcpy_s(ff_ang.keyword,sizeof(ff_ang.keyword),"#quartic_angle");
ff_ang.number_of_parameters = 4;
}

/* TORSION */

ff_tor.number_of_members = 4;
if (forcefield & (FF_TYPE_CLASS1|FF_TYPE_OPLSAA)) {
strcpy(ff_tor.keyword,"#torsion_1");
strcpy_s(ff_tor.keyword,sizeof(ff_tor.keyword),"#torsion_1");
ff_tor.number_of_parameters = 3;
}

if (forcefield & FF_TYPE_CLASS2) {
strcpy(ff_tor.keyword,"#torsion_3");
strcpy_s(ff_tor.keyword,sizeof(ff_tor.keyword),"#torsion_3");
ff_tor.number_of_parameters = 6;
}

/* OOP */

ff_oop.number_of_members = 4;
if (forcefield & (FF_TYPE_CLASS1|FF_TYPE_OPLSAA)) {
strcpy(ff_oop.keyword,"#out_of_plane");
strcpy_s(ff_oop.keyword,sizeof(ff_oop.keyword),"#out_of_plane");
ff_oop.number_of_parameters = 3;
}

if (forcefield & FF_TYPE_CLASS2) {
strcpy(ff_oop.keyword,"#wilson_out_of_plane");
strcpy_s(ff_oop.keyword,sizeof(ff_oop.keyword),"#wilson_out_of_plane");
ff_oop.number_of_parameters = 2;
}

if (forcefield & FF_TYPE_CLASS2) {
/* BOND-BOND */

strcpy(ff_bonbon.keyword,"#bond-bond");
strcpy_s(ff_bonbon.keyword,sizeof(ff_bonbon.keyword),"#bond-bond");
ff_bonbon.number_of_members = 3;
ff_bonbon.number_of_parameters = 1;

/* BOND-ANGLE */

strcpy(ff_bonang.keyword,"#bond-angle");
strcpy_s(ff_bonang.keyword,sizeof(ff_bonang.keyword),"#bond-angle");
ff_bonang.number_of_members = 3;
ff_bonang.number_of_parameters = 2;

/* ANGLE-TORSION */

strcpy(ff_angtor.keyword,"#angle-torsion_3");
strcpy_s(ff_angtor.keyword,sizeof(ff_angtor.keyword),"#angle-torsion_3");
ff_angtor.number_of_members = 4;
ff_angtor.number_of_parameters = 6;

/* ANGLE-ANGLE-TORSION */

strcpy(ff_angangtor.keyword,"#angle-angle-torsion_1");
strcpy_s(ff_angangtor.keyword,sizeof(ff_angangtor.keyword),"#angle-angle-torsion_1");
ff_angangtor.number_of_members = 4;
ff_angangtor.number_of_parameters = 1;

/* END-BOND-TORSION */

strcpy(ff_endbontor.keyword,"#end_bond-torsion_3");
strcpy_s(ff_endbontor.keyword,sizeof(ff_endbontor.keyword),"#end_bond-torsion_3");
ff_endbontor.number_of_members = 4;
ff_endbontor.number_of_parameters = 6;

/* MID-BOND-TORSION */

strcpy(ff_midbontor.keyword,"#middle_bond-torsion_3");
strcpy_s(ff_midbontor.keyword,sizeof(ff_midbontor.keyword),"#middle_bond-torsion_3");
ff_midbontor.number_of_members = 4;
ff_midbontor.number_of_parameters = 3;

/* ANGLE-ANGLE */

strcpy(ff_angang.keyword,"#angle-angle");
strcpy_s(ff_angang.keyword,sizeof(ff_angang.keyword),"#angle-angle");
ff_angang.number_of_members = 4;
ff_angang.number_of_parameters = 1;

/* BOND-BOND-1-3 */

strcpy(ff_bonbon13.keyword,"#bond-bond_1_3");
strcpy_s(ff_bonbon13.keyword,sizeof(ff_bonbon13.keyword),"#bond-bond_1_3");
ff_bonbon13.number_of_members = 4;
ff_bonbon13.number_of_parameters = 1;
}
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