From 813e65026e78706250c347f1cd5e139cccbcba0a Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Tue, 8 Apr 2025 15:53:45 +0200 Subject: [PATCH] fixing whitespaces --- .../dihedral_cosine_squared_restricted.cpp | 18 ++++++------ src/MOLECULE/dihedral_charmm.cpp | 24 ++++++++-------- src/MOLECULE/dihedral_charmmfsw.cpp | 24 ++++++++-------- src/MOLECULE/dihedral_multi_harmonic.cpp | 28 +++++++++---------- src/MOLECULE/dihedral_opls.cpp | 24 ++++++++-------- 5 files changed, 59 insertions(+), 59 deletions(-) diff --git a/src/EXTRA-MOLECULE/dihedral_cosine_squared_restricted.cpp b/src/EXTRA-MOLECULE/dihedral_cosine_squared_restricted.cpp index 2edc87bb00..ae82a7873d 100644 --- a/src/EXTRA-MOLECULE/dihedral_cosine_squared_restricted.cpp +++ b/src/EXTRA-MOLECULE/dihedral_cosine_squared_restricted.cpp @@ -396,12 +396,12 @@ void DihedralCosineSquaredRestricted::born_matrix(int nd, int i1, int i2, int i3 /* ---------------------------------------------------------------------- return ptr to internal members upon request - ------------------------------------------------------------------------ */ - - void *DihedralCosineSquaredRestricted::extract(const char *str, int &dim) - { - dim = 1; - if (strcmp(str, "k") == 0) return (void *) k; - if (strcmp(str, "phi0") == 0) return (void *) phi0; - return nullptr; - } +------------------------------------------------------------------------ */ + +void *DihedralCosineSquaredRestricted::extract(const char *str, int &dim) +{ + dim = 1; + if (strcmp(str, "k") == 0) return (void *) k; + if (strcmp(str, "phi0") == 0) return (void *) phi0; + return nullptr; +} diff --git a/src/MOLECULE/dihedral_charmm.cpp b/src/MOLECULE/dihedral_charmm.cpp index 1ec29da780..ddce2dd66f 100644 --- a/src/MOLECULE/dihedral_charmm.cpp +++ b/src/MOLECULE/dihedral_charmm.cpp @@ -433,15 +433,15 @@ void DihedralCharmm::write_data(FILE *fp) fprintf(fp, "%d %g %d %d %g\n", i, k[i], multiplicity[i], shift[i], weight[i]); } - /* ---------------------------------------------------------------------- - return ptr to internal members upon request - ------------------------------------------------------------------------ */ - - void *DihedralCharmm::extract(const char *str, int &dim) - { - dim = 1; - if (strcmp(str, "k") == 0) return (void *) k; - if (strcmp(str, "n") == 0) return (void *) multiplicity; - if (strcmp(str, "d") == 0) return (void *) shift; - return nullptr; - } +/* ---------------------------------------------------------------------- + return ptr to internal members upon request +------------------------------------------------------------------------ */ + +void *DihedralCharmm::extract(const char *str, int &dim) +{ + dim = 1; + if (strcmp(str, "k") == 0) return (void *) k; + if (strcmp(str, "n") == 0) return (void *) multiplicity; + if (strcmp(str, "d") == 0) return (void *) shift; + return nullptr; +} diff --git a/src/MOLECULE/dihedral_charmmfsw.cpp b/src/MOLECULE/dihedral_charmmfsw.cpp index 2415dff8cd..75e4f688b1 100644 --- a/src/MOLECULE/dihedral_charmmfsw.cpp +++ b/src/MOLECULE/dihedral_charmmfsw.cpp @@ -476,15 +476,15 @@ void DihedralCharmmfsw::write_data(FILE *fp) fprintf(fp, "%d %g %d %d %g\n", i, k[i], multiplicity[i], shift[i], weight[i]); } - /* ---------------------------------------------------------------------- - return ptr to internal members upon request - ------------------------------------------------------------------------ */ - - void *DihedralCharmmfsw::extract(const char *str, int &dim) - { - dim = 1; - if (strcmp(str, "k") == 0) return (void *) k; - if (strcmp(str, "n") == 0) return (void *) multiplicity; - if (strcmp(str, "d") == 0) return (void *) shift; - return nullptr; - } +/* ---------------------------------------------------------------------- + return ptr to internal members upon request +------------------------------------------------------------------------ */ + +void *DihedralCharmmfsw::extract(const char *str, int &dim) +{ + dim = 1; + if (strcmp(str, "k") == 0) return (void *) k; + if (strcmp(str, "n") == 0) return (void *) multiplicity; + if (strcmp(str, "d") == 0) return (void *) shift; + return nullptr; +} diff --git a/src/MOLECULE/dihedral_multi_harmonic.cpp b/src/MOLECULE/dihedral_multi_harmonic.cpp index 89577fca9d..ef75c6b5e7 100644 --- a/src/MOLECULE/dihedral_multi_harmonic.cpp +++ b/src/MOLECULE/dihedral_multi_harmonic.cpp @@ -409,17 +409,17 @@ void DihedralMultiHarmonic::born_matrix(int nd, int i1, int i2, int i3, int i4, } - /* ---------------------------------------------------------------------- - return ptr to internal members upon request - ------------------------------------------------------------------------ */ - - void *DihedralMultiHarmonic::extract(const char *str, int &dim) - { - dim = 1; - if (strcmp(str, "a1") == 0) return (void *) a1; - if (strcmp(str, "a2") == 0) return (void *) a2; - if (strcmp(str, "a3") == 0) return (void *) a3; - if (strcmp(str, "a4") == 0) return (void *) a4; - if (strcmp(str, "a5") == 0) return (void *) a5; - return nullptr; - } +/* ---------------------------------------------------------------------- + return ptr to internal members upon request +------------------------------------------------------------------------ */ + +void *DihedralMultiHarmonic::extract(const char *str, int &dim) +{ + dim = 1; + if (strcmp(str, "a1") == 0) return (void *) a1; + if (strcmp(str, "a2") == 0) return (void *) a2; + if (strcmp(str, "a3") == 0) return (void *) a3; + if (strcmp(str, "a4") == 0) return (void *) a4; + if (strcmp(str, "a5") == 0) return (void *) a5; + return nullptr; +} diff --git a/src/MOLECULE/dihedral_opls.cpp b/src/MOLECULE/dihedral_opls.cpp index 0989e1d7e4..2b58f51366 100644 --- a/src/MOLECULE/dihedral_opls.cpp +++ b/src/MOLECULE/dihedral_opls.cpp @@ -433,15 +433,15 @@ void DihedralOPLS::born_matrix(int nd, int i1, int i2, int i3, int i4, double &d } /* ---------------------------------------------------------------------- - return ptr to internal members upon request - ------------------------------------------------------------------------ */ - - void *DihedralOPLS::extract(const char *str, int &dim) - { - dim = 1; - if (strcmp(str, "k1") == 0) return (void *) k1; - if (strcmp(str, "k2") == 0) return (void *) k2; - if (strcmp(str, "k3") == 0) return (void *) k3; - if (strcmp(str, "k4") == 0) return (void *) k4; - return nullptr; - } + return ptr to internal members upon request +------------------------------------------------------------------------ */ + +void *DihedralOPLS::extract(const char *str, int &dim) +{ + dim = 1; + if (strcmp(str, "k1") == 0) return (void *) k1; + if (strcmp(str, "k2") == 0) return (void *) k2; + if (strcmp(str, "k3") == 0) return (void *) k3; + if (strcmp(str, "k4") == 0) return (void *) k4; + return nullptr; +}