Home
last modified time | relevance | path

Searched defs:atom (Results 26 – 50 of 5541) sorted by relevance

12345678910>>...222

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Wrap/
H A DAtom.cpp45 void AtomSetProp(const Atom *atom, const char *key, const T &val) { in AtomSetProp()
50 int AtomHasProp(const Atom *atom, const char *key) { in AtomHasProp()
56 void AtomClearProp(const Atom *atom, const char *key) { in AtomClearProp()
63 python::tuple AtomGetNeighbors(Atom *atom) { in AtomGetNeighbors()
75 python::tuple AtomGetBonds(Atom *atom) { in AtomGetBonds()
88 bool AtomIsInRing(const Atom *atom) { in AtomIsInRing()
94 bool AtomIsInRingSize(const Atom *atom, int size) { in AtomIsInRingSize()
115 void SetAtomMonomerInfo(Atom *atom, const AtomMonomerInfo *info) { in SetAtomMonomerInfo()
119 AtomMonomerInfo *AtomGetMonomerInfo(Atom *atom) { in AtomGetMonomerInfo()
123 void AtomSetPDBResidueInfo(Atom *atom, const AtomMonomerInfo *info) { in AtomSetPDBResidueInfo()
[all …]
/dports/lang/gcc6-aux/gcc-6-20180516/gcc/testsuite/gfortran.dg/lto/
H A Dpr41521_1.f901 subroutine atom(sol,k,eval) subroutine
2 real, intent(in) :: sol
3 integer, intent(in) :: k(2)
4 real, intent(out) :: eval(2)
5 real t1
/dports/lang/gcc12-devel/gcc-12-20211205/gcc/testsuite/gfortran.dg/lto/
H A Dpr41521_1.f901 subroutine atom(sol,k,eval) subroutine
2 real, intent(in) :: sol
3 integer, intent(in) :: k(2)
4 real, intent(out) :: eval(2)
5 real t1
/dports/lang/gcc8/gcc-8.5.0/gcc/testsuite/gfortran.dg/lto/
H A Dpr41521_1.f901 subroutine atom(sol,k,eval) subroutine
2 real, intent(in) :: sol
3 integer, intent(in) :: k(2)
4 real, intent(out) :: eval(2)
5 real t1
/dports/lang/gcc10/gcc-10.3.0/gcc/testsuite/gfortran.dg/lto/
H A Dpr41521_1.f901 subroutine atom(sol,k,eval) subroutine
2 real, intent(in) :: sol
3 integer, intent(in) :: k(2)
4 real, intent(out) :: eval(2)
5 real t1
/dports/devel/riscv64-none-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/lto/
H A Dpr41521_1.f901 subroutine atom(sol,k,eval) subroutine
2 real, intent(in) :: sol
3 integer, intent(in) :: k(2)
4 real, intent(out) :: eval(2)
5 real t1
/dports/lang/gcc11-devel/gcc-11-20211009/gcc/testsuite/gfortran.dg/lto/
H A Dpr41521_1.f901 subroutine atom(sol,k,eval) subroutine
2 real, intent(in) :: sol
3 integer, intent(in) :: k(2)
4 real, intent(out) :: eval(2)
5 real t1
/dports/devel/arm-none-eabi-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/lto/
H A Dpr41521_1.f901 subroutine atom(sol,k,eval) subroutine
2 real, intent(in) :: sol
3 integer, intent(in) :: k(2)
4 real, intent(out) :: eval(2)
5 real t1
/dports/devel/riscv32-unknown-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/lto/
H A Dpr41521_1.f901 subroutine atom(sol,k,eval) subroutine
2 real, intent(in) :: sol
3 integer, intent(in) :: k(2)
4 real, intent(out) :: eval(2)
5 real t1
/dports/lang/gcc9-devel/gcc-9-20211007/gcc/testsuite/gfortran.dg/lto/
H A Dpr41521_1.f901 subroutine atom(sol,k,eval) subroutine
2 real, intent(in) :: sol
3 integer, intent(in) :: k(2)
4 real, intent(out) :: eval(2)
5 real t1
/dports/devel/aarch64-none-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/lto/
H A Dpr41521_1.f901 subroutine atom(sol,k,eval) subroutine
2 real, intent(in) :: sol
3 integer, intent(in) :: k(2)
4 real, intent(out) :: eval(2)
5 real t1
/dports/lang/gcc9-aux/gcc-9.1.0/gcc/testsuite/gfortran.dg/lto/
H A Dpr41521_1.f901 subroutine atom(sol,k,eval) subroutine
2 real, intent(in) :: sol
3 integer, intent(in) :: k(2)
4 real, intent(out) :: eval(2)
5 real t1
/dports/lang/gcc48/gcc-4.8.5/gcc/testsuite/gfortran.dg/lto/
H A Dpr41521_1.f901 subroutine atom(sol,k,eval) subroutine
2 real, intent(in) :: sol
3 integer, intent(in) :: k(2)
4 real, intent(out) :: eval(2)
5 real t1
/dports/devel/arm-none-eabi-gcc492/gcc-4.9.2/gcc/testsuite/gfortran.dg/lto/
H A Dpr41521_1.f901 subroutine atom(sol,k,eval) subroutine
2 real, intent(in) :: sol
3 integer, intent(in) :: k(2)
4 real, intent(out) :: eval(2)
5 real t1
/dports/misc/cxx_atomics_pic/gcc-11.2.0/gcc/testsuite/gfortran.dg/lto/
H A Dpr41521_1.f901 subroutine atom(sol,k,eval) subroutine
2 real, intent(in) :: sol
3 integer, intent(in) :: k(2)
4 real, intent(out) :: eval(2)
5 real t1
/dports/lang/gnat_util/gcc-6-20180516/gcc/testsuite/gfortran.dg/lto/
H A Dpr41521_1.f901 subroutine atom(sol,k,eval) subroutine
2 real, intent(in) :: sol
3 integer, intent(in) :: k(2)
4 real, intent(out) :: eval(2)
5 real t1
/dports/devel/avr-gcc/gcc-10.2.0/gcc/testsuite/gfortran.dg/lto/
H A Dpr41521_1.f901 subroutine atom(sol,k,eval) subroutine
2 real, intent(in) :: sol
3 integer, intent(in) :: k(2)
4 real, intent(out) :: eval(2)
5 real t1
/dports/devel/riscv64-gcc/gcc-8.3.0/gcc/testsuite/gfortran.dg/lto/
H A Dpr41521_1.f901 subroutine atom(sol,k,eval) subroutine
2 real, intent(in) :: sol
3 integer, intent(in) :: k(2)
4 real, intent(out) :: eval(2)
5 real t1
/dports/lang/gcc11/gcc-11.2.0/gcc/testsuite/gfortran.dg/lto/
H A Dpr41521_1.f901 subroutine atom(sol,k,eval) subroutine
2 real, intent(in) :: sol
3 integer, intent(in) :: k(2)
4 real, intent(out) :: eval(2)
5 real t1
/dports/lang/gcc10-devel/gcc-10-20211008/gcc/testsuite/gfortran.dg/lto/
H A Dpr41521_1.f901 subroutine atom(sol,k,eval) subroutine
2 real, intent(in) :: sol
3 integer, intent(in) :: k(2)
4 real, intent(out) :: eval(2)
5 real t1
/dports/lang/gcc9/gcc-9.4.0/gcc/testsuite/gfortran.dg/lto/
H A Dpr41521_1.f901 subroutine atom(sol,k,eval) subroutine
2 real, intent(in) :: sol
3 integer, intent(in) :: k(2)
4 real, intent(out) :: eval(2)
5 real t1
/dports/devel/mingw32-gcc/gcc-4.8.1/gcc/testsuite/gfortran.dg/lto/
H A Dpr41521_1.f901 subroutine atom(sol,k,eval) subroutine
2 real, intent(in) :: sol
3 integer, intent(in) :: k(2)
4 real, intent(out) :: eval(2)
5 real t1
/dports/www/mod_h264_streaming/mod_h264_streaming-2.2.7/src/
H A Dmp4_io.c772 extern void moov_exit(moov_t* atom) in moov_exit()
923 extern void mvhd_exit(mvhd_t* atom) in mvhd_exit()
986 extern void mdia_exit(mdia_t* atom) in mdia_exit()
1237 extern void dinf_exit(dinf_t* atom) in dinf_exit()
1275 extern void dref_exit(dref_t* atom) in dref_exit()
1784 extern void stco_exit(stco_t* atom) in stco_exit()
1858 extern void mvex_exit(mvex_t* atom) in mvex_exit()
1887 extern void trex_exit(trex_t* atom) in trex_exit()
1930 extern void mfhd_exit(mfhd_t* atom) in mfhd_exit()
1947 extern void traf_exit(traf_t* atom) in traf_exit()
[all …]
/dports/www/nginx-full/nginx_mod_h264_streaming-2.2.7/src/
H A Dmp4_io.c772 extern void moov_exit(moov_t* atom) in moov_exit()
923 extern void mvhd_exit(mvhd_t* atom) in mvhd_exit()
986 extern void mdia_exit(mdia_t* atom) in mdia_exit()
1237 extern void dinf_exit(dinf_t* atom) in dinf_exit()
1275 extern void dref_exit(dref_t* atom) in dref_exit()
1784 extern void stco_exit(stco_t* atom) in stco_exit()
1858 extern void mvex_exit(mvex_t* atom) in mvex_exit()
1887 extern void trex_exit(trex_t* atom) in trex_exit()
1930 extern void mfhd_exit(mfhd_t* atom) in mfhd_exit()
1947 extern void traf_exit(traf_t* atom) in traf_exit()
[all …]
/dports/science/libghemical/libghemical-3.0.0/src/
H A Deng1_qm.h128 …virtual bool SetTorsionConstraint(atom *, atom *, atom *, atom *, f64, f64, bool) { assertion_fail… in SetTorsionConstraint() argument
129 …virtual bool RemoveTorsionConstraint(atom *, atom *, atom *, atom *) { assertion_failed(__FILE__, … in RemoveTorsionConstraint() argument

12345678910>>...222